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

Systemtic Name: (8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-triene-1-sulfonic acid Openeye Name: (8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-triene-1-sulfonic acid CAS Name: (8E,12E)-9,13,17-trimethyl-1-phosphono-1-octadeca-8,12,16-trienesulfonic acid IUPAC Name: (8E,12E)-9,13,17-trimethyl-1-phosphonooctadeca-8,12,16-triene-1-sulfonic acid Traditional Name: (8E,12E)-9,13,17-trimethyl-1-phosphono-octadeca-8,12,16-triene-1-sulfonic acid Formula: C21H39O6PS MolecularWeight: 450.569521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCCCCCC(P(=O)(O)O)S(=O)(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CCCCCCC(P(=O)(O)O)S(=O)(=O)O)/C)/C)C

InChI

InChI=1S/C21H39O6PS/c1-18(2)12-10-14-20(4)16-11-15-19(3)13-8-6-5-7-9-17-21(28(22,23)24)29(25,26)27/h12-13,16,21H,5-11,14-15,17H2,1-4H3,(H2,22,23,24)(H,25,26,27)/b19-13+,20-16+