methyl 4-[(5-methyl-2-nitro-phenyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-methyl-2-nitro-phenyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-methyl-2-nitro-phenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-methyl-2-nitrophenyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-2-nitrophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-methyl-2-nitro-phenyl)thio]methyl]benzoic acid methyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H15NO4S/c1-11-3-8-14(17(19)20)15(9-11)22-10-12-4-6-13(7-5-12)16(18)21-2/h3-9H,10H2,1-2H3