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

Systemtic Name: 3-[2-bis(3-sulfonatophenyl)phosphanylethyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: 3-[2-bis(3-sulfonatophenyl)phosphanylethyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: 3-[2-bis(3-sulfonatophenyl)phosphinoethyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: 3-[2-bis(3-sulfonatophenyl)phosphanylethyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: 3-[2-bis(3-sulfonatophenyl)phosphinoethyl-(3-sulfonatophenyl)phosphino]besylate Formula: C26H20O12P2S4-4 MolecularWeight: 714.637322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C26H24O12P2S4/c27-41(28,29)23-9-1-5-19(15-23)39(20-6-2-10-24(16-20)42(30,31)32)13-14-40(21-7-3-11-25(17-21)43(33,34)35)22-8-4-12-26(18-22)44(36,37)38/h1-12,15-18H,13-14H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/p-4