3-[3-bis(3-sulfophenyl)phosphanylbutan-2-yl-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid

Systemtic Name: 3-[3-bis(3-sulfophenyl)phosphanylbutan-2-yl-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Openeye Name: 3-[[2-bis(3-sulfophenyl)phosphanyl-1-methyl-propyl]-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid CAS Name: 3-[3-bis(3-sulfophenyl)phosphinobutan-2-yl-[3-(trioxidanylthio)phenyl]phosphino]benzenesulfonic acid IUPAC Name: 3-[3-bis(3-sulfophenyl)phosphanylbutan-2-yl-[3-(trioxidanylsulfanyl)phenyl]phosphanyl]benzenesulfonic acid Traditional Name: 3-[[2-bis(3-sulfophenyl)phosphino-1-methyl-propyl]-[3-(trioxidanylthio)phenyl]phosphino]besylic acid Formula: C28H28O12P2S4 MolecularWeight: 746.722242

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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)SOOO)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)SOOO)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)