10-(2-azanylethylsulfanyl)-10-oxidanyl-phenanthren-9-one hydrochloride

Systemtic Name: 10-(2-azanylethylsulfanyl)-10-oxidanyl-phenanthren-9-one hydrochloride Openeye Name: 10-(2-aminoethylsulfanyl)-10-hydroxy-phenanthren-9-one hydrochloride CAS Name: 10-(2-aminoethylthio)-10-hydroxy-9-phenanthrenone hydrochloride IUPAC Name: 10-(2-aminoethylsulfanyl)-10-hydroxyphenanthren-9-one hydrochloride Traditional Name: 10-(2-aminoethylthio)-10-hydroxy-phenanthren-9-one hydrochloride Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl

InChI

InChI=1S/C16H15NO2S.ClH/c17-9-10-20-16(19)14-8-4-3-6-12(14)11-5-1-2-7-13(11)15(16)18;/h1-8,19H,9-10,17H2;1H