(8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyl-octadeca-8,12,16-triene-1-sulfonic acid

Systemtic Name: (8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyl-octadeca-8,12,16-triene-1-sulfonic acid Openeye Name: (8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyl-octadeca-8,12,16-triene-1-sulfonic acid CAS Name: (8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyl-1-octadeca-8,12,16-trienesulfonic acid IUPAC Name: (8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyloctadeca-8,12,16-triene-1-sulfonic acid Traditional Name: (8E,12E)-1-diethoxyphosphoryl-9,13,17-trimethyl-octadeca-8,12,16-triene-1-sulfonic acid Formula: C25H47O6PS MolecularWeight: 506.675841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCCCCC=C(C)CCC=C(C)CCC=C(C)C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCCCC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)S(=O)(=O)O)OCC

InChI

InChI=1S/C25H47O6PS/c1-7-30-32(26,31-8-2)25(33(27,28)29)21-13-11-9-10-12-17-23(5)19-15-20-24(6)18-14-16-22(3)4/h16-17,20,25H,7-15,18-19,21H2,1-6H3,(H,27,28,29)/b23-17+,24-20+