S-[(4-nitrophenyl)-oxidanyl-methyl] benzenecarbothioate

Systemtic Name: S-[(4-nitrophenyl)-oxidanyl-methyl] benzenecarbothioate Openeye Name: S-[hydroxy-(4-nitrophenyl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[hydroxy-(4-nitrophenyl)methyl] ester IUPAC Name: S-[hydroxy-(4-nitrophenyl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[hydroxy-(4-nitrophenyl)methyl] ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c16-13(10-4-2-1-3-5-10)20-14(17)11-6-8-12(9-7-11)15(18)19/h1-9,14,17H