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: OAFPVFZXWPVEBS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
144054

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H23N7O5S/c20-5-6-32-8-13-15(27)16(28)19(31-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-1-3-12(4-2-11)26(29)30/h1-4,9-10,13,15-16,19,27-28H,5-8,20H2,(H,21,22,23)/t13-,15-,16-,19-/m1/s1
C19H23N7O5S461.4948201900
29788052

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C19H23N7O5S/c20-5-6-32-8-13-15(27)16(28)19(31-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-1-3-12(4-2-11)26(29)30/h1-4,9-10,13,15-16,19,27-28H,5-8,20H2,(H,21,22,23)/t13-,15?,16?,19-/m1/s1
C19H23N7O5S461.49481100
113618525

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C19H23N7O5S/c20-5-6-32-8-13-15(27)16(28)19(31-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-1-3-12(4-2-11)26(29)30/h1-4,9-10,13,15-16,19,27-28H,5-8,20H2,(H,21,22,23)/t13-,15+,16?,19-/m1/s1
C19H23N7O5S461.49481100

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