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: BOFWNPXLFXOZJI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2178718

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H17N5O2S/c1-11-5-4-6-12(9-11)20-17(26)14-10-16(25)23-18(21-14)24-19-22-13-7-2-3-8-15(13)27-19/h2-9,14H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)
C19H17N5O2S379.43558251700
978014

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17N5O2S/c1-11-5-4-6-12(9-11)20-17(26)14-10-16(25)23-18(21-14)24-19-22-13-7-2-3-8-15(13)27-19/h2-9,14H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)/t14-/m1/s1
C19H17N5O2S379.43562100
978016

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17N5O2S/c1-11-5-4-6-12(9-11)20-17(26)14-10-16(25)23-18(21-14)24-19-22-13-7-2-3-8-15(13)27-19/h2-9,14H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)/t14-/m0/s1
C19H17N5O2S379.43562100
5342192

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17N5O2S/c1-11-5-4-6-12(9-11)20-17(26)14-10-16(25)23-18(21-14)24-19-22-13-7-2-3-8-15(13)27-19/h2-9,14H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)/p+1/t14-/m1/s1
C19H18N5O2S380.4431100
5342193

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17N5O2S/c1-11-5-4-6-12(9-11)20-17(26)14-10-16(25)23-18(21-14)24-19-22-13-7-2-3-8-15(13)27-19/h2-9,14H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)/p+1/t14-/m0/s1
C19H18N5O2S380.4431100

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