ethyl 4-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzoate Openeye Name: ethyl 3-nitro-4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(tosylmethyl)benzoic acid ethyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-3-24-17(19)13-6-7-14(16(10-13)18(20)21)11-25(22,23)15-8-4-12(2)5-9-15/h4-10H,3,11H2,1-2H3