2-[2-bromanyl-4,5-bis(1,3,2-dithiarsolan-2-yl)-7-methyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2-bromanyl-4,5-bis(1,3,2-dithiarsolan-2-yl)-7-methyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2-bromo-4,5-bis(1,3,2-dithiarsolan-2-yl)-6-hydroxy-7-methyl-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2-bromo-4,5-bis(1,3,2-dithiarsolan-2-yl)-6-hydroxy-7-methyl-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2-bromo-4,5-bis(1,3,2-dithiarsolan-2-yl)-6-hydroxy-7-methyl-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2-bromo-4,5-bis(1,3,2-dithiarsolan-2-yl)-6-hydroxy-3-keto-7-methyl-xanthen-9-yl]benzoic acid Formula: C25H19As2BrO5S4 MolecularWeight: 757.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C3C=C(C(=O)C(=C3O2)[As]4SCCS4)Br)C5=CC=CC=C5C(=O)O)[As]6SCCS6)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C3C=C(C(=O)C(=C3O2)[As]4SCCS4)Br)C5=CC=CC=C5C(=O)O)[As]6SCCS6)O

InChI

InChI=1S/C25H19As2BrO5S4/c1-12-10-15-18(13-4-2-3-5-14(13)25(31)32)16-11-17(28)22(30)20(27-36-8-9-37-27)24(16)33-23(15)19(21(12)29)26-34-6-7-35-26/h2-5,10-11,29H,6-9H2,1H3,(H,31,32)