tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphanylbutyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphanylbutyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphanylbutyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphinobutyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphanylbutyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: tetrasodium 3-[4-bis(3-sulfonatophenyl)phosphinobutyl-(3-sulfonatophenyl)phosphino]besylate Formula: C28H24Na4O12P2S4 MolecularWeight: 834.649562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCCCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCCCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H28O12P2S4.4Na/c29-43(30,31)25-11-3-7-21(17-25)41(22-8-4-12-26(18-22)44(32,33)34)15-1-2-16-42(23-9-5-13-27(19-23)45(35,36)37)24-10-6-14-28(20-24)46(38,39)40;;;;/h3-14,17-20H,1-2,15-16H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4