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

Systemtic Name: 4-[(4-methylsulfanylphenyl)-nitroso-amino]benzoic acid Openeye Name: 4-(4-methylsulfanyl-N-nitroso-anilino)benzoic acid CAS Name: 4-[4-(methylthio)-N-nitrosoanilino]benzoic acid IUPAC Name: 4-(4-methylsulfanyl-N-nitrosoanilino)benzoic acid Traditional Name: 4-[4-(methylthio)-N-nitroso-anilino]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)N=O

Isomeric SMILES

CSC1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)N=O

InChI

InChI=1S/C14H12N2O3S/c1-20-13-8-6-12(7-9-13)16(15-19)11-4-2-10(3-5-11)14(17)18/h2-9H,1H3,(H,17,18)