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

Systemtic Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonic acid Formula: C23H33O7PS MolecularWeight: 484.542681

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C23H33O7PS/c1-4-10-19-11-7-14-21(17-19)30-22-15-8-12-20(18-22)13-9-16-23(32(25,26)27)31(24,28-5-2)29-6-3/h7-8,11-12,14-15,17-18,23H,4-6,9-10,13,16H2,1-3H3,(H,25,26,27)