3-[[2-[bis(3-sulfonatophenyl)phosphanylmethyl]cyclobutyl]methyl-(3-oxidanidylperoxysulfanylphenyl)phosphanyl]benzenesulfonate

Systemtic Name: 3-[[2-[bis(3-sulfonatophenyl)phosphanylmethyl]cyclobutyl]methyl-(3-oxidanidylperoxysulfanylphenyl)phosphanyl]benzenesulfonate Openeye Name: 3-[[2-[bis(3-sulfonatophenyl)phosphanylmethyl]cyclobutyl]methyl-(3-oxidoperoxysulfanylphenyl)phosphanyl]benzenesulfonate CAS Name: 3-[[2-[bis(3-sulfonatophenyl)phosphinomethyl]cyclobutyl]methyl-[3-(oxidodioxythio)phenyl]phosphino]benzenesulfonate IUPAC Name: 3-[[2-[bis(3-sulfonatophenyl)phosphanylmethyl]cyclobutyl]methyl-(3-oxidoperoxysulfanylphenyl)phosphanyl]benzenesulfonate Traditional Name: 3-[[2-[bis(3-sulfonatophenyl)phosphinomethyl]cyclobutyl]methyl-[3-(oxidoperoxythio)phenyl]phosphino]besylate Formula: C30H26O12P2S4-4 MolecularWeight: 768.727762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1CP(C2=CC(=CC=C2)SOO[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])CP(C4=CC(=CC=C4)S(=O)(=O)[O-])C5=CC(=CC=C5)S(=O)(=O)[O-]

Isomeric SMILES

C1CC(C1CP(C2=CC(=CC=C2)SOO[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])CP(C4=CC(=CC=C4)S(=O)(=O)[O-])C5=CC(=CC=C5)S(=O)(=O)[O-]

InChI

InChI=1S/C30H30O12P2S4/c31-41-42-45-27-9-1-5-23(15-27)43(24-6-2-10-28(16-24)46(32,33)34)19-21-13-14-22(21)20-44(25-7-3-11-29(17-25)47(35,36)37)26-8-4-12-30(18-26)48(38,39)40/h1-12,15-18,21-22,31H,13-14,19-20H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)/p-4