methyl 8-[4-hexyl-6-(8-methoxy-8-oxidanylidene-octyl)-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoate

Systemtic Name: methyl 8-[4-hexyl-6-(8-methoxy-8-oxidanylidene-octyl)-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoate Openeye Name: methyl 8-[4-hexyl-6-(8-methoxy-8-oxo-octyl)-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoate CAS Name: 8-[4-hexyl-6-(8-methoxy-8-oxooctyl)-5-[(E)-oct-2-enyl]-1-cyclohex-2-enyl]octanoic acid methyl ester IUPAC Name: methyl 8-[4-hexyl-6-(8-methoxy-8-oxooctyl)-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octanoate Traditional Name: 8-[4-hexyl-6-(8-keto-8-methoxy-octyl)-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]caprylic acid methyl ester Formula: C38H68O4 MolecularWeight: 588.94412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1CC=CCCCCC)CCCCCCCC(=O)OC)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCC1C=CC(C(C1C/C=C/CCCCC)CCCCCCCC(=O)OC)CCCCCCCC(=O)OC

InChI

InChI=1S/C38H68O4/c1-5-7-9-11-15-21-27-35-33(25-19-10-8-6-2)31-32-34(26-20-14-12-17-23-29-37(39)41-3)36(35)28-22-16-13-18-24-30-38(40)42-4/h15,21,31-36H,5-14,16-20,22-30H2,1-4H3/b21-15+