4-[2-phenyl-6-(4-phosphanylphenyl)octan-4-yl]benzenesulfonic acid

Systemtic Name: 4-[2-phenyl-6-(4-phosphanylphenyl)octan-4-yl]benzenesulfonic acid Openeye Name: 4-[1-(2-phenylpropyl)-3-(4-phosphanylphenyl)pentyl]benzenesulfonic acid CAS Name: 4-[2-phenyl-6-(4-phosphinophenyl)octan-4-yl]benzenesulfonic acid IUPAC Name: 4-[2-phenyl-6-(4-phosphanylphenyl)octan-4-yl]benzenesulfonic acid Traditional Name: 4-[1-(2-phenylpropyl)-3-(4-phosphinophenyl)pentyl]besylic acid Formula: C26H31O3PS MolecularWeight: 454.561301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)P

Isomeric SMILES

CCC(CC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)P

InChI

InChI=1S/C26H31O3PS/c1-3-20(22-9-13-25(30)14-10-22)18-24(17-19(2)21-7-5-4-6-8-21)23-11-15-26(16-12-23)31(27,28)29/h4-16,19-20,24H,3,17-18,30H2,1-2H3,(H,27,28,29)