sodium 2-bis(2-sulfophenyl)phosphanylbenzenesulfonic acid

Systemtic Name: sodium 2-bis(2-sulfophenyl)phosphanylbenzenesulfonic acid Openeye Name: sodium 2-bis(2-sulfophenyl)phosphanylbenzenesulfonic acid CAS Name: sodium 2-bis(2-sulfophenyl)phosphinobenzenesulfonic acid IUPAC Name: sodium 2-bis(2-sulfophenyl)phosphanylbenzenesulfonic acid Traditional Name: sodium 2-bis(2-sulfophenyl)phosphinobesylic acid Formula: C18H15NaO9PS3+ MolecularWeight: 525.464831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)P(C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)P(C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H15O9PS3.Na/c19-29(20,21)16-10-4-1-7-13(16)28(14-8-2-5-11-17(14)30(22,23)24)15-9-3-6-12-18(15)31(25,26)27;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);/q;+1