3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexanone CAS Name: 4-hydroxy-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cyclohexanone IUPAC Name: 4-hydroxy-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexanone Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2O)O

InChI

InChI=1S/C21H32O3/c1-4-5-6-7-12-21(2,3)15-8-10-17(20(24)13-15)18-14-16(22)9-11-19(18)23/h8,10,13,18-19,23-24H,4-7,9,11-12,14H2,1-3H3