2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: 2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: 2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: 2-[3-bis(2-sulfonatophenyl)phosphinopropyl-(2-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: 2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: 2-[3-bis(2-sulfonatophenyl)phosphinopropyl-(2-sulfonatophenyl)phosphino]besylate Formula: C27H22O12P2S4-4 MolecularWeight: 728.663902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)P(CCCP(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)P(CCCP(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

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