S-phenyl 3-(4-nitrophenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-phenyl 3-(4-nitrophenyl)-3-oxidanyl-propanethioate Openeye Name: S-phenyl 3-hydroxy-3-(4-nitrophenyl)propanethioate CAS Name: 3-hydroxy-3-(4-nitrophenyl)propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-hydroxy-3-(4-nitrophenyl)propanethioate Traditional Name: 3-hydroxy-3-(4-nitrophenyl)propanethioic acid S-phenyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H13NO4S/c17-14(11-6-8-12(9-7-11)16(19)20)10-15(18)21-13-4-2-1-3-5-13/h1-9,14,17H,10H2