S-(phenylmethyl) 3-(3-nitrophenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-(phenylmethyl) 3-(3-nitrophenyl)-3-oxidanyl-propanethioate Openeye Name: S-benzyl 3-hydroxy-3-(3-nitrophenyl)propanethioate CAS Name: 3-hydroxy-3-(3-nitrophenyl)propanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-hydroxy-3-(3-nitrophenyl)propanethioate Traditional Name: 3-hydroxy-3-(3-nitrophenyl)propanethioic acid S-benzyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c18-15(13-7-4-8-14(9-13)17(20)21)10-16(19)22-11-12-5-2-1-3-6-12/h1-9,15,18H,10-11H2