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

Systemtic Name: (E)-1-diethoxyphosphoryl-4-[4-(3-phenylpropyl)phenyl]but-3-ene-1-sulfonic acid Openeye Name: (E)-1-diethoxyphosphoryl-4-[4-(3-phenylpropyl)phenyl]but-3-ene-1-sulfonic acid CAS Name: (E)-1-diethoxyphosphoryl-4-[4-(3-phenylpropyl)phenyl]-3-butene-1-sulfonic acid IUPAC Name: (E)-1-diethoxyphosphoryl-4-[4-(3-phenylpropyl)phenyl]but-3-ene-1-sulfonic acid Traditional Name: (E)-1-diethoxyphosphoryl-4-[4-(3-phenylpropyl)phenyl]but-3-ene-1-sulfonic acid Formula: C23H31O6PS MolecularWeight: 466.527401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC=CC1=CC=C(C=C1)CCCC2=CC=CC=C2)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(C/C=C/C1=CC=C(C=C1)CCCC2=CC=CC=C2)S(=O)(=O)O)OCC

InChI

InChI=1S/C23H31O6PS/c1-3-28-30(24,29-4-2)23(31(25,26)27)15-9-14-22-18-16-21(17-19-22)13-8-12-20-10-6-5-7-11-20/h5-7,9-11,14,16-19,23H,3-4,8,12-13,15H2,1-2H3,(H,25,26,27)/b14-9+