ethyl 3-nitro-4-(phenylsulfinylmethyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(phenylsulfinylmethyl)benzoate Openeye Name: ethyl 4-(benzenesulfinylmethyl)-3-nitro-benzoate CAS Name: 4-(benzenesulfinylmethyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfinylmethyl)-3-nitrobenzoate Traditional Name: 4-(benzenesulfinylmethyl)-3-nitro-benzoic acid ethyl ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-2-22-16(18)12-8-9-13(15(10-12)17(19)20)11-23(21)14-6-4-3-5-7-14/h3-10H,2,11H2,1H3