(Z)-22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-22-oxidanylidene-docos-11-enoic acid

Systemtic Name: (Z)-22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-22-oxidanylidene-docos-11-enoic acid Openeye Name: (Z)-22-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]-22-oxo-docos-11-enoic acid CAS Name: (Z)-22-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-22-oxo-11-docosenoic acid IUPAC Name: (Z)-22-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-22-oxodocos-11-enoic acid Traditional Name: (Z)-22-(3-hydroxy-2-methyl-2-methylol-propoxy)-22-keto-docos-11-enoic acid Formula: C27H50O6 MolecularWeight: 470.6823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCCCCCCCCC=CCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CO)(CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC(=O)O

InChI

InChI=1S/C27H50O6/c1-27(22-28,23-29)24-33-26(32)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-25(30)31/h2-3,28-29H,4-24H2,1H3,(H,30,31)/b3-2-