[(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (Z)-docos-13-enoate Openeye Name: [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-1-hydroxy-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C42H80O5 MolecularWeight: 665.0816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h17,19,40,43H,3-16,18,20-39H2,1-2H3/b19-17-/t40-/m0/s1