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: QMMASWWWQRGQQC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1390287

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/t12-,13-/m0/s1
C16H17N3O4315.3239231900
3474491

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)
C16H17N3O4315.323889800
1390290

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/t12-,13+/m0/s1
C16H17N3O4315.32393200
1266084

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/t12-,13+/m1/s1
C16H17N3O4315.32393200
1390284

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/t12-,13-/m1/s1
C16H17N3O4315.32393200
1390286

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13-/m0/s1
C16H16N3O4314.31651100
1390283

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13-/m1/s1
C16H16N3O4314.31651100
1266083

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13+/m1/s1
C16H16N3O4314.31651100
1390289

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/p-1/t12-,13+/m0/s1
C16H16N3O4314.31651100
120963499

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N3O4/c20-14-6-5-12(18-14)15(21)19-13(16(22)23)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12-13,17H,5-7H2,(H,18,20)(H,19,21)(H,22,23)/t12?,13-/m0/s1
C16H17N3O4315.32391100

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