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

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfinylmethyl]-3-nitro-benzoate Openeye Name: ethyl 3-nitro-4-(p-tolylsulfinylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfinylmethyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfinylmethyl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylsulfinylmethyl)benzoic acid ethyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S/c1-3-23-17(19)13-6-7-14(16(10-13)18(20)21)11-24(22)15-8-4-12(2)5-9-15/h4-10H,3,11H2,1-2H3