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

Systemtic Name: 4-[(5-methyl-2-nitro-phenyl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-methyl-2-nitro-phenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-methyl-2-nitrophenyl)thio]methyl]benzoate IUPAC Name: 4-[(5-methyl-2-nitrophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-methyl-2-nitro-phenyl)thio]methyl]benzoate Formula: C15H12NO4S- MolecularWeight: 302.32508

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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)[O-]

Isomeric SMILES

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

InChI

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