Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 27 results

Search term: XWALNWXLMVGSFR (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6061


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
C20H28O2300.4351831052461
455746

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3
C20H28O2300.4351923900
17460436

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16?,17?,18+,19+,20+/m1/s1
C20H28O2300.43518400
23089209

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18-,19-,20-/m0/s1
C20H28O2300.435163833
57530409

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20-/m1/s1/i3D3
C20H25D3O2303.45365600
16740001

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20?/m1/s1
C20H28O2300.43515201
58785653

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1/i3D3
C20H25D3O2303.45363400
4935218

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m1/s1
C20H28O2300.43513300
4937903

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m0/s1
C20H28O2300.43513400
5026298

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16-,17-,18+,19+,20+/m1/s1
C20H28O2300.43512100
5415785

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17-,18+,19+,20+/m1/s1
C20H28O2300.43512100
5428234

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16-,17+,18+,19+,20+/m1/s1
C20H28O2300.43512100
1013336

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17-,18+,19-,20+/m1/s1
C20H28O2300.43512100
1382376

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16-,17-,18+,19-,20+/m1/s1
C20H28O2300.43512100
1382377

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16-,17+,18+,19-,20+/m1/s1
C20H28O2300.43512100
1382378

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19-,20+/m1/s1
C20H28O2300.43512100
107451621

1 of 6 defined stereocentres - 1/6 defined

Non-standard isotope
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m0/s1/i4D,6D,12D/t4?,15?,16?,17?,18?,19?,20-
C20H25D3O2303.45361100
110092275

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m0/s1
C20H28O2300.43511100
111314002

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20-/m0/s1
C20H28O2300.43511100
113598785

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16?,17?,18+,19+,20+/m0/s1
C20H28O2300.43511100
12

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