3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid Openeye Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid IUPAC Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid Traditional Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid Formula: C14H10ClNO6S MolecularWeight: 355.7503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClNO6S/c15-11-2-4-12(5-3-11)23(21,22)8-10-7-9(14(17)18)1-6-13(10)16(19)20/h1-7H,8H2,(H,17,18)