4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)butan-2-yl pentanoate

Systemtic Name: 4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)butan-2-yl pentanoate Openeye Name: [1-methyl-3-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)propyl] pentanoate CAS Name: pentanoic acid 4-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)butan-2-yl ester IUPAC Name: 4-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)butan-2-yl pentanoate Traditional Name: valeric acid [3-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-1-methyl-propyl] ester Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)CCC1=C(C(=O)CCC1(C)C)C

Isomeric SMILES

CCCCC(=O)OC(C)CCC1=C(C(=O)CCC1(C)C)C

InChI

InChI=1S/C18H30O3/c1-6-7-8-17(20)21-13(2)9-10-15-14(3)16(19)11-12-18(15,4)5/h13H,6-12H2,1-5H3