(4-nitrophenyl) 2-sulfanylbenzoate

Systemtic Name: (4-nitrophenyl) 2-sulfanylbenzoate Openeye Name: (4-nitrophenyl) 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid (4-nitrophenyl) ester Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C13H9NO4S/c15-13(11-3-1-2-4-12(11)19)18-10-7-5-9(6-8-10)14(16)17/h1-8,19H