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

Systemtic Name: (E)-1-diethoxyphosphoryl-4-[4-(phenylmethyl)phenyl]but-3-ene-1-sulfonic acid Openeye Name: (E)-4-(4-benzylphenyl)-1-diethoxyphosphoryl-but-3-ene-1-sulfonic acid CAS Name: (E)-1-diethoxyphosphoryl-4-[4-(phenylmethyl)phenyl]-3-butene-1-sulfonic acid IUPAC Name: (E)-4-(4-benzylphenyl)-1-diethoxyphosphorylbut-3-ene-1-sulfonic acid Traditional Name: (E)-4-(4-benzylphenyl)-1-diethoxyphosphoryl-but-3-ene-1-sulfonic acid Formula: C21H27O6PS MolecularWeight: 438.474241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC=CC1=CC=C(C=C1)CC2=CC=CC=C2)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(C/C=C/C1=CC=C(C=C1)CC2=CC=CC=C2)S(=O)(=O)O)OCC

InChI

InChI=1S/C21H27O6PS/c1-3-26-28(22,27-4-2)21(29(23,24)25)12-8-11-18-13-15-20(16-14-18)17-19-9-6-5-7-10-19/h5-11,13-16,21H,3-4,12,17H2,1-2H3,(H,23,24,25)/b11-8+