(E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)but-3-ene-1-sulfonic acid

Systemtic Name: (E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)but-3-ene-1-sulfonic acid Openeye Name: (E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)but-3-ene-1-sulfonic acid CAS Name: (E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)-3-butene-1-sulfonic acid IUPAC Name: (E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)but-3-ene-1-sulfonic acid Traditional Name: (E)-1-diethoxyphosphoryl-4-(4-heptylphenyl)but-3-ene-1-sulfonic acid Formula: C21H35O6PS MolecularWeight: 446.537761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C=CCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)/C=C/CC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C21H35O6PS/c1-4-7-8-9-10-12-19-15-17-20(18-16-19)13-11-14-21(29(23,24)25)28(22,26-5-2)27-6-3/h11,13,15-18,21H,4-10,12,14H2,1-3H3,(H,23,24,25)/b13-11+