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 3 results

Search term: VGLXNWGVKZBOQS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2299969

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H31N3O5S/c26-20(27)13-25-18-7-3-4-8-19(18)31-14-17(21(25)28)24-16(22(29)30)6-2-1-5-15-9-11-23-12-10-15/h3-4,7-8,15-17,23-24H,1-2,5-6,9-14H2,(H,26,27)(H,29,30)/t16-,17-/m0/s1
C22H31N3O5S449.563647700
8130967

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H31N3O5S/c26-20(27)13-25-18-7-3-4-8-19(18)31-14-17(21(25)28)24-16(22(29)30)6-2-1-5-15-9-11-23-12-10-15/h3-4,7-8,15-17,23-24H,1-2,5-6,9-14H2,(H,26,27)(H,29,30)/t16-,17+/m1/s1
C22H31N3O5S449.56362100
9919144

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H31N3O5S/c26-20(27)13-25-18-7-3-4-8-19(18)31-14-17(21(25)28)24-16(22(29)30)6-2-1-5-15-9-11-23-12-10-15/h3-4,7-8,15-17,23-24H,1-2,5-6,9-14H2,(H,26,27)(H,29,30)/t16?,17-/m0/s1
C22H31N3O5S449.56362100

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