1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 4-[4-(4-amylphenyl)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid Formula: C25H37O6PS MolecularWeight: 496.596441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C25H37O6PS/c1-4-7-8-10-21-13-17-23(18-14-21)24-19-15-22(16-20-24)11-9-12-25(33(27,28)29)32(26,30-5-2)31-6-3/h13-20,25H,4-12H2,1-3H3,(H,27,28,29)