trisodium 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate

Systemtic Name: trisodium 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate Openeye Name: trisodium 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate CAS Name: trisodium 4-bis(4-sulfonatophenyl)phosphinobenzenesulfonate IUPAC Name: trisodium 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate Traditional Name: trisodium 4-bis(4-sulfonatophenyl)phosphinobesylate Formula: C18H12Na3O9PS3 MolecularWeight: 568.420551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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