2-[(4-nitrophenyl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(4-nitrophenyl)sulfanylmethyl]benzoate Openeye Name: 2-[(4-nitrophenyl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-nitrophenyl)thio]methyl]benzoate IUPAC Name: 2-[(4-nitrophenyl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-nitrophenyl)thio]methyl]benzoate Formula: C14H10NO4S- MolecularWeight: 288.2985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H11NO4S/c16-14(17)13-4-2-1-3-10(13)9-20-12-7-5-11(6-8-12)15(18)19/h1-8H,9H2,(H,16,17)/p-1