[(2S,6S)-2,4,6-trimethyl-1-(pentanoyloxymethyl)cyclohex-3-en-1-yl]methyl pentanoate

Systemtic Name: [(2S,6S)-2,4,6-trimethyl-1-(pentanoyloxymethyl)cyclohex-3-en-1-yl]methyl pentanoate Openeye Name: [(2S,6S)-2,4,6-trimethyl-1-(pentanoyloxymethyl)cyclohex-3-en-1-yl]methyl pentanoate CAS Name: pentanoic acid [(2S,6S)-2,4,6-trimethyl-1-(1-oxopentoxymethyl)-1-cyclohex-3-enyl]methyl ester IUPAC Name: [(2S,6S)-2,4,6-trimethyl-1-(pentanoyloxymethyl)cyclohex-3-en-1-yl]methyl pentanoate Traditional Name: valeric acid [(2S,6S)-2,4,6-trimethyl-1-(valeryloxymethyl)cyclohex-3-en-1-yl]methyl ester Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1(C(CC(=CC1C)C)C)COC(=O)CCCC

Isomeric SMILES

CCCCC(=O)OCC1([C@H](CC(=C[C@@H]1C)C)C)COC(=O)CCCC

InChI

InChI=1S/C21H36O4/c1-6-8-10-19(22)24-14-21(15-25-20(23)11-9-7-2)17(4)12-16(3)13-18(21)5/h12,17-18H,6-11,13-15H2,1-5H3/t17-,18-/m0/s1