1-diethoxyphosphoryl-4-(4-heptylphenyl)butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-(4-heptylphenyl)butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-(4-heptylphenyl)butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-(4-heptylphenyl)-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-(4-heptylphenyl)butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-(4-heptylphenyl)butane-1-sulfonic acid Formula: C21H37O6PS MolecularWeight: 448.553641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37O6PS/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/h15-18,21H,4-14H2,1-3H3,(H,23,24,25)