methyl 4-[(4-nitrophenyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-nitrophenyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-nitrophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-nitrophenyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-nitrophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-nitrophenyl)thio]methyl]benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c1-20-15(17)12-4-2-11(3-5-12)10-21-14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3