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 4 results

Search term: TXTLCPGTCAUVNV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3072645

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H17ClN2S/c14-13-4-8-1-9(5-13)3-12(2-8,7-13)10-6-17-11(15)16-10/h6,8-9H,1-5,7H2,(H2,15,16)
C13H17ClN2S268.8055342400
37779752

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H17ClN2S/c14-13-4-8-1-9(5-13)3-12(2-8,7-13)10-6-17-11(15)16-10/h6,8-9H,1-5,7H2,(H2,15,16)/t8-,9+,12+,13-
C13H17ClN2S268.80556400
675974

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H17ClN2S/c14-13-4-8-1-9(5-13)3-12(2-8,7-13)10-6-17-11(15)16-10/h6,8-9H,1-5,7H2,(H2,15,16)/t8-,9+,12?,13?
C13H17ClN2S268.80552100
3270878

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H17ClN2S/c14-13-4-8-1-9(5-13)3-12(2-8,7-13)10-6-17-11(15)16-10/h6,8-9H,1-5,7H2,(H2,15,16)/p+1
C13H18ClN2S269.81291100

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