[(4R)-4-(phenylmethoxymethyl)pentadec-1-en-4-yl] (E,5S)-5-oxidanyl-5-(phenylmethoxymethyl)hexadec-2-enoate

Systemtic Name: [(4R)-4-(phenylmethoxymethyl)pentadec-1-en-4-yl] (E,5S)-5-oxidanyl-5-(phenylmethoxymethyl)hexadec-2-enoate Openeye Name: [(1R)-1-allyl-1-(benzyloxymethyl)dodecyl] (E,5S)-5-(benzyloxymethyl)-5-hydroxy-hexadec-2-enoate CAS Name: (E,5S)-5-hydroxy-5-(phenylmethoxymethyl)-2-hexadecenoic acid [(4R)-4-(phenylmethoxymethyl)pentadec-1-en-4-yl] ester IUPAC Name: [(4R)-4-(phenylmethoxymethyl)pentadec-1-en-4-yl] (E,5S)-5-hydroxy-5-(phenylmethoxymethyl)hexadec-2-enoate Traditional Name: (E,5S)-5-(benzoxymethyl)-5-hydroxy-hexadec-2-enoic acid [(1R)-1-(benzoxymethyl)-1-undecyl-but-3-enyl] ester Formula: C47H74O5 MolecularWeight: 719.08746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC=CC(=O)OC(CCCCCCCCCCC)(CC=C)COCC1=CC=CC=C1)(COCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCC[C@](C/C=C/C(=O)O[C@](CCCCCCCCCCC)(CC=C)COCC1=CC=CC=C1)(COCC2=CC=CC=C2)O

InChI

InChI=1S/C47H74O5/c1-4-7-9-11-13-15-17-19-27-36-46(49,41-50-39-43-30-23-21-24-31-43)37-29-34-45(48)52-47(35-6-3,42-51-40-44-32-25-22-26-33-44)38-28-20-18-16-14-12-10-8-5-2/h6,21-26,29-34,49H,3-5,7-20,27-28,35-42H2,1-2H3/b34-29+/t46-,47-/m0/s1