4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-keto-xanthen-9-yl]isophthalic acid Formula: C25H18As2O7S4 MolecularWeight: 708.50942

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Descriptors Computed from Structure

Canonical SMILES:

C1CS[As](S1)C2=C(C=CC3=C2OC4=C(C(=O)C=CC4=C3C5=C(C=C(C=C5)C(=O)O)C(=O)O)[As]6SCCS6)O

Isomeric SMILES

C1CS[As](S1)C2=C(C=CC3=C2OC4=C(C(=O)C=CC4=C3C5=C(C=C(C=C5)C(=O)O)C(=O)O)[As]6SCCS6)O

InChI

InChI=1S/C25H18As2O7S4/c28-17-5-3-14-19(13-2-1-12(24(30)31)11-16(13)25(32)33)15-4-6-18(29)21(27-37-9-10-38-27)23(15)34-22(14)20(17)26-35-7-8-36-26/h1-6,11,28H,7-10H2,(H,30,31)(H,32,33)