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 6 results

Search term: MCRMUCXATQAAMN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
621444

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
C17H17NO5315.320610281340
643300

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
C17H17NO5315.3206714900
88670

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)
C17H17NO5315.32065956340
8744002

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1/i6+2,7+2,8+2,9+2,10+2,12+2,14+2,15+2,16+2
C814C9H17NO5333.25342200
5300266

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/p-1/t15-/m0/s1
C17H16NO5314.312641100
5305593

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/p-1/t15-/m1/s1
C17H16NO5314.312641100

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