6-sulfanylidene-4-[3-sulfanylidenepropanoyl-(4-sulfophenyl)amino]cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 6-sulfanylidene-4-[3-sulfanylidenepropanoyl-(4-sulfophenyl)amino]cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-[4-sulfo-N-(3-thioxopropanoyl)anilino]-6-thioxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-(N-(1-oxo-3-sulfanylidenepropyl)-4-sulfoanilino)-6-sulfanylidene-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 6-sulfanylidene-4-[N-(3-sulfanylidenepropanoyl)-4-sulfoanilino]cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 4-[4-sulfo-N-(3-thioxopropanoyl)anilino]-6-thioxo-cyclohexa-1,3-diene-1-sulfonic acid Formula: C15H13NO7S4 MolecularWeight: 447.52622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1=S)S(=O)(=O)O)N(C2=CC=C(C=C2)S(=O)(=O)O)C(=O)CC=S

Isomeric SMILES

C1C(=CC=C(C1=S)S(=O)(=O)O)N(C2=CC=C(C=C2)S(=O)(=O)O)C(=O)CC=S

InChI

InChI=1S/C15H13NO7S4/c17-15(7-8-24)16(10-1-4-12(5-2-10)26(18,19)20)11-3-6-14(13(25)9-11)27(21,22)23/h1-6,8H,7,9H2,(H,18,19,20)(H,21,22,23)