4-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]benzenesulfonic acid CAS Name: 4-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]benzenesulfonic acid IUPAC Name: 4-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]benzenesulfonic acid Traditional Name: 4-[(9,10,10-triketothioxanthene-3-carbonyl)amino]besylic acid Formula: C20H13NO7S2 MolecularWeight: 443.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H13NO7S2/c22-19-15-3-1-2-4-17(15)29(24,25)18-11-12(5-10-16(18)19)20(23)21-13-6-8-14(9-7-13)30(26,27)28/h1-11H,(H,21,23)(H,26,27,28)