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: NJNQGMFCZFMREY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26344603

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C34H42ClN9O4S/c1-20(2)27(18-45)40-34-41-31(30-32(42-34)44(19-37-30)21(3)4)39-22-13-14-25(26(35)17-22)33(46)36-15-16-38-49(47,48)29-12-8-9-23-24(29)10-7-11-28(23)43(5)6/h7-14,17,19-21,27,38,45H,15-16,18H2,1-6H3,(H,36,46)(H2,39,40,41,42)/t27-/m0/s1
C34H42ClN9O4S708.273212700
123248277

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H42ClN9O4S/c1-20(2)27(18-45)40-34-41-31(30-32(42-34)44(19-37-30)21(3)4)39-22-13-14-25(26(35)17-22)33(46)36-15-16-38-49(47,48)29-12-8-9-23-24(29)10-7-11-28(23)43(5)6/h7-14,17,19-21,27,38,45H,15-16,18H2,1-6H3,(H,36,46)(H2,39,40,41,42)
C34H42ClN9O4S708.27322200
68025424

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C34H42ClN9O4S/c1-20(2)27(18-45)40-34-41-31(30-32(42-34)44(19-37-30)21(3)4)39-22-13-14-25(26(35)17-22)33(46)36-15-16-38-49(47,48)29-12-8-9-23-24(29)10-7-11-28(23)43(5)6/h7-14,17,19-21,27,38,45H,15-16,18H2,1-6H3,(H,36,46)(H2,39,40,41,42)/t27-/m1/s1
C34H42ClN9O4S708.27321100

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