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
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Found 5 results

Search term: NZGOIHZOTAJJCD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4583835

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,18,22H,4-5,7H2,1H3,(H,19,24)/b12-3-
C16H17N5O6S2439.466151100
4576669

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,18,22H,4-5,7H2,1H3,(H,19,24)
C16H17N5O6S2439.46614300
8586367

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,18,22H,4-5,7H2,1H3,(H,19,24)/b12-3+
C16H17N5O6S2439.46612100
59701356

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,18,22H,4-5,7H2,1H3,(H,19,24)/b12-3-/t9-,11-/m0/s1
C16H17N5O6S2439.46612100
4572199

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,18,22H,4-5,7H2,1H3,(H,19,24)/b12-3-/t9?,11-/m1/s1
C16H17N5O6S2439.46611100

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