(4-sulfanylphenyl) 4-nitrobenzoate

Systemtic Name: (4-sulfanylphenyl) 4-nitrobenzoate Openeye Name: (4-sulfanylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-mercaptophenyl) ester IUPAC Name: (4-sulfanylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-mercaptophenyl) ester Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S)[N+](=O)[O-]

InChI

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