O22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] O1-(phenylmethyl) (Z)-docos-11-enedioate

Systemtic Name: O22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] O1-(phenylmethyl) (Z)-docos-11-enedioate Openeye Name: O1-benzyl O22-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] (Z)-docos-11-enedioate CAS Name: (Z)-11-docosenedioic acid O22-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 22-O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (Z)-docos-11-enedioate Traditional Name: (Z)-docos-11-enedioic acid O1-benzyl ester O22-(3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C34H56O6 MolecularWeight: 560.80484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCCCCCCCCC=CCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(CO)(CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C34H56O6/c1-34(28-35,29-36)30-40-33(38)26-22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21-25-32(37)39-27-31-23-19-18-20-24-31/h2-3,18-20,23-24,35-36H,4-17,21-22,25-30H2,1H3/b3-2-