O32-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] O1-(phenylmethyl) (Z)-dotriacont-16-enedioate

Systemtic Name: O32-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] O1-(phenylmethyl) (Z)-dotriacont-16-enedioate Openeye Name: O1-benzyl O32-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] (Z)-dotriacont-16-enedioate CAS Name: (Z)-16-dotriacontenedioic acid O32-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 32-O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (Z)-dotriacont-16-enedioate Traditional Name: (Z)-dotriacont-16-enedioic acid O1-benzyl ester O32-(3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C44H76O6 MolecularWeight: 701.07064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(CO)(CO)COC(=O)CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C44H76O6/c1-44(38-45,39-46)40-50-43(48)36-32-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-31-35-42(47)49-37-41-33-29-28-30-34-41/h2-3,28-30,33-34,45-46H,4-27,31-32,35-40H2,1H3/b3-2-