[2-(3,5-dimethylpyridazin-4-yl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octanoate

Systemtic Name: [2-(3,5-dimethylpyridazin-4-yl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octanoate Openeye Name: [2-(3,5-dimethylpyridazin-4-yl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] octanoate CAS Name: octanoic acid [2-(3,5-dimethyl-4-pyridazinyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,5-dimethylpyridazin-4-yl)-5,5-dimethyl-3-oxocyclohexen-1-yl] octanoate Traditional Name: caprylic acid [2-(3,5-dimethylpyridazin-4-yl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(N=NC=C2C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(N=NC=C2C)C

InChI

InChI=1S/C22H32N2O3/c1-6-7-8-9-10-11-19(26)27-18-13-22(4,5)12-17(25)21(18)20-15(2)14-23-24-16(20)3/h14H,6-13H2,1-5H3