4-[(4-methylsulfonylphenyl)-nitroso-amino]benzoic acid

Systemtic Name: 4-[(4-methylsulfonylphenyl)-nitroso-amino]benzoic acid Openeye Name: 4-(4-methylsulfonyl-N-nitroso-anilino)benzoic acid CAS Name: 4-(4-methylsulfonyl-N-nitrosoanilino)benzoic acid IUPAC Name: 4-(4-methylsulfonyl-N-nitrosoanilino)benzoic acid Traditional Name: 4-(4-mesyl-N-nitroso-anilino)benzoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)N=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)N=O

InChI

InChI=1S/C14H12N2O5S/c1-22(20,21)13-8-6-12(7-9-13)16(15-19)11-4-2-10(3-5-11)14(17)18/h2-9H,1H3,(H,17,18)