(E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]but-3-ene-1-sulfonic acid

Systemtic Name: (E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]but-3-ene-1-sulfonic acid Openeye Name: (E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]but-3-ene-1-sulfonic acid CAS Name: (E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]-3-butene-1-sulfonic acid IUPAC Name: (E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]but-3-ene-1-sulfonic acid Traditional Name: (E)-1-diethoxyphosphoryl-4-[4-(4-propylphenoxy)phenyl]but-3-ene-1-sulfonic acid Formula: C23H31O7PS MolecularWeight: 482.526801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31O7PS/c1-4-8-19-11-15-21(16-12-19)30-22-17-13-20(14-18-22)9-7-10-23(32(25,26)27)31(24,28-5-2)29-6-3/h7,9,11-18,23H,4-6,8,10H2,1-3H3,(H,25,26,27)/b9-7+