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 19 results

Search term: BRUQQQPBMZOVGD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447649

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
C18H21NO4315.3636691347132328
4474

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3
C18H21NO4315.36361564900
27523942

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1/i1D3,2D3
C18H15D6NO4321.4006101800
27523943

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1/i2D3
C18H18D3NO4318.382181500
32818765

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1/i1D3
C18H18D3NO4318.38215400
8080614

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18?/m1/s1
C18H21NO4315.36365400
4576526

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16?,17+,18-/m1/s1
C18H21NO4315.36364400
6204

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16-,17-,18+/m0/s1
C18H21NO4315.36363300
10292505

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1
C18H22NO4316.3712100
27472392

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17-,18+/m1/s1/i1D3,2D3
C18H15D6NO4321.40062100
27472394

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17-,18+/m1/s1/i1D3
C18H18D3NO4318.38212100
30489296

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m0/s1
C18H21NO4315.36362200
30489297

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18+/m1/s1
C18H21NO4315.36361100
30489298

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1/i21+2
C18H21NO318O317.36341100
78432303

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17-,18?/m1/s1
C18H21NO4315.36361100
111313469

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m0/s1/i1D3,2D3
C18H15D6NO4321.40061100
9693139

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16?,17+,18?/m1/s1
C18H21NO4315.36361100

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