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: VAYRSTHMTWUHGE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
198161

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)
C17H13NO4295.2894846900
296146

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1
C17H13NO4295.2894705200
581425

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m1/s1
C17H13NO4295.28947600
2775215

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/p-1
C17H12NO4294.281482200
5294406

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/p-1/t14-/m0/s1
C17H12NO4294.281481100
5294407

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/p-1/t14-/m1/s1
C17H12NO4294.281481100

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