(4-methylphenyl) 4-nitrosulfanylbenzoate

Systemtic Name: (4-methylphenyl) 4-nitrosulfanylbenzoate Openeye Name: p-tolyl 4-nitrosulfanylbenzoate CAS Name: 4-(nitrothio)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-nitrosulfanylbenzoate Traditional Name: 4-(nitrothio)benzoic acid p-tolyl ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c1-10-2-6-12(7-3-10)19-14(16)11-4-8-13(9-5-11)20-15(17)18/h2-9H,1H3