1-[(2S)-2-[3-(furan-3-yl)propanoyl]-2,6,6-trimethyl-cyclohexyl]butan-2-one

Systemtic Name: 1-[(2S)-2-[3-(furan-3-yl)propanoyl]-2,6,6-trimethyl-cyclohexyl]butan-2-one Openeye Name: 1-[(2S)-2-[3-(3-furyl)propanoyl]-2,6,6-trimethyl-cyclohexyl]butan-2-one CAS Name: 1-[(2S)-2-[3-(3-furanyl)-1-oxopropyl]-2,6,6-trimethylcyclohexyl]-2-butanone IUPAC Name: 1-[(2S)-2-[3-(furan-3-yl)propanoyl]-2,6,6-trimethylcyclohexyl]butan-2-one Traditional Name: 1-[(2S)-2-[3-(3-furyl)propanoyl]-2,6,6-trimethyl-cyclohexyl]butan-2-one Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1C(CCCC1(C)C(=O)CCC2=COC=C2)(C)C

Isomeric SMILES

CCC(=O)CC1[C@@](CCCC1(C)C)(C)C(=O)CCC2=COC=C2

InChI

InChI=1S/C20H30O3/c1-5-16(21)13-17-19(2,3)10-6-11-20(17,4)18(22)8-7-15-9-12-23-14-15/h9,12,14,17H,5-8,10-11,13H2,1-4H3/t17?,20-/m0/s1