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 5 results

Search term: ICMSVXKABUIKEH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3443139

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3
C25H29NO3391.50266181600
4893862

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3/t16-/m1/s1
C25H29NO3391.50272100
5353162

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3/p+1/t16-/m1/s1
C25H30NO3392.51012200
5353163

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3/p+1/t16-/m0/s1
C25H30NO3392.51012200
5353164

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29NO3/c1-16-8-7-11-26(14-16)15-21-17(2)12-22-23(24(21)27)18(3)20(25(28)29-22)13-19-9-5-4-6-10-19/h4-6,9-10,12,16,27H,7-8,11,13-15H2,1-3H3/t16-/m0/s1
C25H29NO3391.50272100

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