(5E,9E)-2-heptanoyloxy-1-methoxy-6,10,14-trimethyl-1-phosphoroso-pentadeca-5,9,13-triene-1-sulfonic acid

Systemtic Name: (5E,9E)-2-heptanoyloxy-1-methoxy-6,10,14-trimethyl-1-phosphoroso-pentadeca-5,9,13-triene-1-sulfonic acid Openeye Name: (5E,9E)-2-heptanoyloxy-1-methoxy-6,10,14-trimethyl-1-phosphoroso-pentadeca-5,9,13-triene-1-sulfonic acid CAS Name: (5E,9E)-1-methoxy-6,10,14-trimethyl-2-(1-oxoheptoxy)-1-phosphoroso-1-pentadeca-5,9,13-trienesulfonic acid IUPAC Name: (5E,9E)-2-heptanoyloxy-1-methoxy-6,10,14-trimethyl-1-phosphorosopentadeca-5,9,13-triene-1-sulfonic acid Traditional Name: (5E,9E)-2-enanthyloxy-1-methoxy-6,10,14-trimethyl-1-phosphoroso-pentadeca-5,9,13-triene-1-sulfonic acid Formula: C26H45O7PS MolecularWeight: 532.670061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(CCC=C(C)CCC=C(C)CCC=C(C)C)C(OC)(P=O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H45O7PS/c1-7-8-9-10-20-25(27)33-24(26(32-6,34-28)35(29,30)31)19-13-18-23(5)17-12-16-22(4)15-11-14-21(2)3/h14,16,18,24H,7-13,15,17,19-20H2,1-6H3,(H,29,30,31)/b22-16+,23-18+