4-[3-phenyl-2-(phenylmethyl)-3-phosphanyl-2-[(4-sulfonatophenyl)methyl]propyl]benzenesulfonate

Systemtic Name: 4-[3-phenyl-2-(phenylmethyl)-3-phosphanyl-2-[(4-sulfonatophenyl)methyl]propyl]benzenesulfonate Openeye Name: 4-[2-benzyl-3-phenyl-3-phosphanyl-2-[(4-sulfonatophenyl)methyl]propyl]benzenesulfonate CAS Name: 4-[3-phenyl-2-(phenylmethyl)-3-phosphino-2-[(4-sulfonatophenyl)methyl]propyl]benzenesulfonate IUPAC Name: 4-[2-benzyl-3-phenyl-3-phosphanyl-2-[(4-sulfonatophenyl)methyl]propyl]benzenesulfonate Traditional Name: 4-[2-benzyl-3-phenyl-3-phosphino-2-(4-sulfonatobenzyl)propyl]besylate Formula: C29H27O6PS2-2 MolecularWeight: 566.624841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)S(=O)(=O)[O-])(CC3=CC=C(C=C3)S(=O)(=O)[O-])C(C4=CC=CC=C4)P

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)S(=O)(=O)[O-])(CC3=CC=C(C=C3)S(=O)(=O)[O-])C(C4=CC=CC=C4)P

InChI

InChI=1S/C29H29O6PS2/c30-37(31,32)26-15-11-23(12-16-26)20-29(19-22-7-3-1-4-8-22,28(36)25-9-5-2-6-10-25)21-24-13-17-27(18-14-24)38(33,34)35/h1-18,28H,19-21,36H2,(H,30,31,32)(H,33,34,35)/p-2