3-(4-butoxyphenyl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one

Systemtic Name: 3-(4-butoxyphenyl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: 2,4-diacetyl-3-(4-butoxyphenyl)-5-hydroxy-5-methyl-cyclohexanone CAS Name: 2,4-diacetyl-3-(4-butoxyphenyl)-5-hydroxy-5-methyl-1-cyclohexanone IUPAC Name: 2,4-diacetyl-3-(4-butoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one Traditional Name: 2,4-diacetyl-3-(4-butoxyphenyl)-5-hydroxy-5-methyl-cyclohexanone Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C

InChI

InChI=1S/C21H28O5/c1-5-6-11-26-16-9-7-15(8-10-16)19-18(13(2)22)17(24)12-21(4,25)20(19)14(3)23/h7-10,18-20,25H,5-6,11-12H2,1-4H3