3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; tetramethylazanium

Systemtic Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; tetramethylazanium Openeye Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; tetramethylammonium CAS Name: 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; tetramethylammonium IUPAC Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; tetramethylazanium Traditional Name: 3-bis(3-sulfonatophenyl)phosphinobesylate; tetramethylammonium Formula: C30H48N3O9PS3 MolecularWeight: 721.885581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.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-]

Isomeric SMILES

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.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-]

InChI

InChI=1S/C18H15O9PS3.3C4H12N/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;3*1-5(2,3)4/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);3*1-4H3/q;3*+1/p-3