1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid Formula: C23H33O6PS MolecularWeight: 468.543281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=CC(=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C23H33O6PS/c1-4-9-20-11-7-12-22(18-20)21-16-14-19(15-17-21)10-8-13-23(31(25,26)27)30(24,28-5-2)29-6-3/h7,11-12,14-18,23H,4-6,8-10,13H2,1-3H3,(H,25,26,27)