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 6 results

Search term: GKEMHVLBZNVZOI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7845549

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17-/m1/s1
C12H16N2OS2268.3982171400
2298585

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17?/m1/s1
C12H16N2OS2268.39824151400
8013999

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)
C12H16N2OS2268.3982136600
8643677

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17-/m0/s1
C12H16N2OS2268.39825400
7962944

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17+/m1/s1
C12H16N2OS2268.39825400
23137360

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)/t12-,17?/m0/s1
C12H16N2OS2268.39823200

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