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

Systemtic Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-keto-xanthen-9-yl]benzoic acid Formula: C24H18As2O5S4 MolecularWeight: 664.49992

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Descriptors Computed from Structure

Canonical SMILES:

C1CS[As](S1)C2=C(C=CC3=C2OC4=C(C(=O)C=CC4=C3C5=CC=CC=C5C(=O)O)[As]6SCCS6)O

Isomeric SMILES

C1CS[As](S1)C2=C(C=CC3=C2OC4=C(C(=O)C=CC4=C3C5=CC=CC=C5C(=O)O)[As]6SCCS6)O

InChI

InChI=1S/C24H18As2O5S4/c27-17-7-5-15-19(13-3-1-2-4-14(13)24(29)30)16-6-8-18(28)21(26-34-11-12-35-26)23(16)31-22(15)20(17)25-32-9-10-33-25/h1-8,27H,9-12H2,(H,29,30)