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

Systemtic Name: ethyl 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoate Openeye Name: ethyl 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoate CAS Name: 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoate Traditional Name: 3-nitro-4-(nosylmethyl)benzoic acid ethyl ester Formula: C16H14N2O8S MolecularWeight: 394.35596

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O8S/c1-2-26-16(19)11-3-4-12(15(9-11)18(22)23)10-27(24,25)14-7-5-13(6-8-14)17(20)21/h3-9H,2,10H2,1H3