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 10 results

Search term: BRQAXEKVGOTNJM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
197506

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
C20H28O2300.4351141800
2103715

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m0/s1
C20H28O2300.435124200
3010174

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/h4-5,12,15-17,22H,6-11H2,1-3H3
C20H28O2300.435123200
52084088

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20-/m1/s1
C20H28O2300.43513400
10064900

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17-,18-,19-,20+/m1/s1
C20H28O2300.43512100
10064901

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17-,18+,19-,20+/m1/s1
C20H28O2300.43512100
10064902

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16-,17+,18+,19+,20-/m0/s1
C20H28O2300.43512100
10064903

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16-,17+,18-,19+,20-/m0/s1
C20H28O2300.43512100
11803281

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15?,16?,17?,18-,19-,20-/m0/s1
C20H28O2300.43511100
107444151

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/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20-/m1/s1/i4D,5D,6D2,12D
C20H23D5O2305.46591100

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