trisodium 3-bis(3-sulfophenyl)arsanylbenzenesulfonic acid

Systemtic Name: trisodium 3-bis(3-sulfophenyl)arsanylbenzenesulfonic acid Openeye Name: trisodium 3-bis(3-sulfophenyl)arsanylbenzenesulfonic acid CAS Name: trisodium 3-bis(3-sulfophenyl)arsinobenzenesulfonic acid IUPAC Name: trisodium 3-bis(3-sulfophenyl)arsanylbenzenesulfonic acid Traditional Name: trisodium 3-bis(3-sulfophenyl)arsinobesylic acid Formula: C18H15AsNa3O9S3+3 MolecularWeight: 615.39221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[As](C2=CC=CC(=C2)S(=O)(=O)O)C3=CC=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)[As](C2=CC=CC(=C2)S(=O)(=O)O)C3=CC=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H15AsO9S3.3Na/c20-29(21,22)16-7-1-4-13(10-16)19(14-5-2-8-17(11-14)30(23,24)25)15-6-3-9-18(12-15)31(26,27)28;;;/h1-12H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1