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

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-(p-tolyl)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[4-(p-tolyl)phenyl]butane-1-sulfonic acid Formula: C21H29O6PS MolecularWeight: 440.490121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C)S(=O)(=O)O)OCC

InChI

InChI=1S/C21H29O6PS/c1-4-26-28(22,27-5-2)21(29(23,24)25)8-6-7-18-11-15-20(16-12-18)19-13-9-17(3)10-14-19/h9-16,21H,4-8H2,1-3H3,(H,23,24,25)