(5Z,9E)-1-[bis(2-methylpropanoyloxymethoxy)phosphoryl]-6,10,14-trimethyl-pentadeca-5,9,13-triene-1-sulfonic acid

Systemtic Name: (5Z,9E)-1-[bis(2-methylpropanoyloxymethoxy)phosphoryl]-6,10,14-trimethyl-pentadeca-5,9,13-triene-1-sulfonic acid Openeye Name: (5Z,9E)-1-[bis(2-methylpropanoyloxymethoxy)phosphoryl]-6,10,14-trimethyl-pentadeca-5,9,13-triene-1-sulfonic acid CAS Name: (5Z,9E)-1-[bis[(2-methyl-1-oxopropoxy)methoxy]phosphoryl]-6,10,14-trimethyl-1-pentadeca-5,9,13-trienesulfonic acid IUPAC Name: (5Z,9E)-1-[bis(2-methylpropanoyloxymethoxy)phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-triene-1-sulfonic acid Traditional Name: (5Z,9E)-1-[bis(isobutyryloxymethoxy)phosphoryl]-6,10,14-trimethyl-pentadeca-5,9,13-triene-1-sulfonic acid Formula: C28H49O10PS MolecularWeight: 608.721421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOP(=O)(C(CCCC=C(C)CCC=C(C)CCC=C(C)C)S(=O)(=O)O)OCOC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OCOP(=O)(C(CCC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)S(=O)(=O)O)OCOC(=O)C(C)C

InChI

InChI=1S/C28H49O10PS/c1-21(2)13-11-15-25(8)17-12-16-24(7)14-9-10-18-26(40(32,33)34)39(31,37-19-35-27(29)22(3)4)38-20-36-28(30)23(5)6/h13-14,17,22-23,26H,9-12,15-16,18-20H2,1-8H3,(H,32,33,34)/b24-14-,25-17+