tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphinopropyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: tetrasodium 3-[3-bis(3-sulfonatophenyl)phosphinopropyl-(3-sulfonatophenyl)phosphino]besylate Formula: C27H22Na4O12P2S4 MolecularWeight: 820.622982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCCP(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(CCCP(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/C27H26O12P2S4.4Na/c28-42(29,30)24-10-1-6-20(16-24)40(21-7-2-11-25(17-21)43(31,32)33)14-5-15-41(22-8-3-12-26(18-22)44(34,35)36)23-9-4-13-27(19-23)45(37,38)39;;;;/h1-4,6-13,16-19H,5,14-15H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4