methyl 4-(4-chlorophenyl)sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-(4-chlorophenyl)sulfonyl-3-nitro-benzoate Openeye Name: methyl 4-(4-chlorophenyl)sulfonyl-3-nitro-benzoate CAS Name: 4-(4-chlorophenyl)sulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)sulfonyl-3-nitrobenzoate Traditional Name: 4-(4-chlorophenyl)sulfonyl-3-nitro-benzoic acid methyl ester Formula: C14H10ClNO6S MolecularWeight: 355.7503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClNO6S/c1-22-14(17)9-2-7-13(12(8-9)16(18)19)23(20,21)11-5-3-10(15)4-6-11/h2-8H,1H3