4-[ethanethioyl-(4-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name: 4-[ethanethioyl-(4-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 4-(N-ethanethioyl-4-sulfo-anilino)benzenesulfonic acid CAS Name: 4-[N-(1-sulfanylideneethyl)-4-sulfoanilino]benzenesulfonic acid IUPAC Name: 4-(N-ethanethioyl-4-sulfoanilino)benzenesulfonic acid Traditional Name: 4-(4-sulfo-N-thioacetyl-anilino)besylic acid Formula: C14H13NO6S3 MolecularWeight: 387.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S3/c1-10(22)15(11-2-6-13(7-3-11)23(16,17)18)12-4-8-14(9-5-12)24(19,20)21/h2-9H,1H3,(H,16,17,18)(H,19,20,21)