[(2R,3R,4S)-2-[(1R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-ethyl]-4-oxidanyl-oxolan-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: [(2R,3R,4S)-2-[(1R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-ethyl]-4-oxidanyl-oxolan-3-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl]tetrahydrofuran-3-yl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]ethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]oxolan-3-yl] (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl]tetrahydrofuran-3-yl] ester Formula: C42H72O7 MolecularWeight: 689.01688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC1C(COC1C(CO)OC(=O)CCCCCCCC=CCC=CCCCCC)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]1[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O

InChI

InChI=1S/C42H72O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38(35-43)42-41(37(44)36-47-42)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37-38,41-44H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t37-,38+,41+,42+/m0/s1