3-[3-bis(3-sulfonatophenyl)phosphanylbutan-2-yl-(3-oxidanidylperoxysulfanylphenyl)phosphanyl]benzenesulfonate

Systemtic Name: 3-[3-bis(3-sulfonatophenyl)phosphanylbutan-2-yl-(3-oxidanidylperoxysulfanylphenyl)phosphanyl]benzenesulfonate Openeye Name: 3-[[2-bis(3-sulfonatophenyl)phosphanyl-1-methyl-propyl]-(3-oxidoperoxysulfanylphenyl)phosphanyl]benzenesulfonate CAS Name: 3-[3-bis(3-sulfonatophenyl)phosphinobutan-2-yl-[3-(oxidodioxythio)phenyl]phosphino]benzenesulfonate IUPAC Name: 3-[3-bis(3-sulfonatophenyl)phosphanylbutan-2-yl-(3-oxidoperoxysulfanylphenyl)phosphanyl]benzenesulfonate Traditional Name: 3-[[2-bis(3-sulfonatophenyl)phosphino-1-methyl-propyl]-[3-(oxidoperoxythio)phenyl]phosphino]besylate Formula: C28H24O12P2S4-4 MolecularWeight: 742.690482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28O12P2S4/c1-19(41(21-7-3-11-25(15-21)43-40-39-29)22-8-4-12-26(16-22)44(30,31)32)20(2)42(23-9-5-13-27(17-23)45(33,34)35)24-10-6-14-28(18-24)46(36,37)38/h3-20,29H,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/p-4