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: CKWLJDSVKGAMKR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117978

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H30N4O9S/c1-27(2)20(25(38)39)31-23(37)19(24(31)41-27)28-21(35)18(14-7-4-3-5-8-14)29-26(40)30(11-6-12-32)22(36)15-9-10-16(33)17(34)13-15/h3-5,7-10,13,18-20,24,32-34H,6,11-12H2,1-2H3,(H,28,35)(H,29,40)(H,38,39)/t18?,19-,20+,24-/m1/s1
C27H30N4O9S586.61357700
8184086

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C27H30N4O9S/c1-27(2)20(25(38)39)31-23(37)19(24(31)41-27)28-21(35)18(14-7-4-3-5-8-14)29-26(40)30(11-6-12-32)22(36)15-9-10-16(33)17(34)13-15/h3-5,7-10,13,18-20,24,32-34H,6,11-12H2,1-2H3,(H,28,35)(H,29,40)(H,38,39)/t18?,19?,20-,24?/m0/s1
C27H30N4O9S586.61352100
68026744

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H30N4O9S/c1-27(2)20(25(38)39)31-23(37)19(24(31)41-27)28-21(35)18(14-7-4-3-5-8-14)29-26(40)30(11-6-12-32)22(36)15-9-10-16(33)17(34)13-15/h3-5,7-10,13,18-20,24,32-34H,6,11-12H2,1-2H3,(H,28,35)(H,29,40)(H,38,39)/t18?,19?,20-,24+/m0/s1
C27H30N4O9S586.61351100

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