[4-[3,3-bis(oxidanyl)propoxy]-3-methyl-2-oxidanyl-butyl] (E)-octadec-11-enoate

Systemtic Name: [4-[3,3-bis(oxidanyl)propoxy]-3-methyl-2-oxidanyl-butyl] (E)-octadec-11-enoate Openeye Name: [4-(3,3-dihydroxypropoxy)-2-hydroxy-3-methyl-butyl] (E)-octadec-11-enoate CAS Name: (E)-11-octadecenoic acid [4-(3,3-dihydroxypropoxy)-2-hydroxy-3-methylbutyl] ester IUPAC Name: [4-(3,3-dihydroxypropoxy)-2-hydroxy-3-methylbutyl] (E)-octadec-11-enoate Traditional Name: (E)-octadec-11-enoic acid [4-(3,3-dihydroxypropoxy)-2-hydroxy-3-methyl-butyl] ester Formula: C26H50O6 MolecularWeight: 458.6716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC(=O)OCC(C(C)COCCC(O)O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC(=O)OCC(C(C)COCCC(O)O)O

InChI

InChI=1S/C26H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)32-22-24(27)23(2)21-31-20-19-25(28)29/h8-9,23-25,27-29H,3-7,10-22H2,1-2H3/b9-8+