methyl 5-[2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cycloheptyl]pentanoate

Systemtic Name: methyl 5-[2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cycloheptyl]pentanoate Openeye Name: methyl 5-[2-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cycloheptyl]pentanoate CAS Name: 5-[2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cycloheptyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cycloheptyl]pentanoate Traditional Name: 5-[2-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cycloheptyl]valeric acid methyl ester Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1CCCCCC1CCCCC(=O)OC)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1CCCCCC1CCCCC(=O)OC)OC(=O)C

InChI

InChI=1S/C28H48O4/c1-4-5-6-7-8-12-21-27(32-24(2)29)22-15-13-19-25-17-10-9-11-18-26(25)20-14-16-23-28(30)31-3/h13,15,19,22,25-27H,4-12,14,16-18,20-21,23H2,1-3H3/b19-13+,22-15+