3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid dihydrate

Systemtic Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid dihydrate Openeye Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid dihydrate CAS Name: 3-bis(3-sulfophenyl)phosphinobenzenesulfonic acid dihydrate IUPAC Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid dihydrate Traditional Name: 3-bis(3-sulfophenyl)phosphinobesylic acid dihydrate Formula: C18H19O11PS3 MolecularWeight: 538.505621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.O.O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.O.O

InChI

InChI=1S/C18H15O9PS3.2H2O/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2*1H2