[(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

Systemtic Name: [(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Openeye Name: [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate CAS Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(2S)-1-hydroxy-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Traditional Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C42H76O5 MolecularWeight: 661.04984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C42H76O5/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/h11,13,17,19,21-22,40,43H,3-10,12,14-16,18,20,23-39H2,1-2H3/b13-11-,19-17-,22-21-/t40-/m0/s1