[(E)-18-(2-methylphenoxy)-18-oxidanylidene-octadec-9-en-7-yl] 2-[(E)-12-oxidanyloctadec-9-enoyl]oxybenzoate

Systemtic Name: [(E)-18-(2-methylphenoxy)-18-oxidanylidene-octadec-9-en-7-yl] 2-[(E)-12-oxidanyloctadec-9-enoyl]oxybenzoate Openeye Name: [(E)-1-hexyl-12-(2-methylphenoxy)-12-oxo-dodec-3-enyl] 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoate CAS Name: 2-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]benzoic acid [(E)-18-(2-methylphenoxy)-18-oxooctadec-9-en-7-yl] ester IUPAC Name: [(E)-18-(2-methylphenoxy)-18-oxooctadec-9-en-7-yl] 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoate Traditional Name: 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoic acid [(E)-1-hexyl-12-keto-12-(2-methylphenoxy)dodec-3-enyl] ester Formula: C50H76O7 MolecularWeight: 789.13424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC1=CC=CC=C1C(=O)OC(CCCCCC)CC=CCCCCCCCC(=O)OC2=CC=CC=C2C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC1=CC=CC=C1C(=O)OC(CCCCCC)C/C=C/CCCCCCCC(=O)OC2=CC=CC=C2C)O

InChI

InChI=1S/C50H76O7/c1-4-6-8-22-33-43(51)34-23-18-14-10-12-16-21-27-41-49(53)57-47-39-31-29-37-45(47)50(54)55-44(35-24-9-7-5-2)36-25-19-15-11-13-17-20-26-40-48(52)56-46-38-30-28-32-42(46)3/h18-19,23,25,28-32,37-39,43-44,51H,4-17,20-22,24,26-27,33-36,40-41H2,1-3H3/b23-18+,25-19+