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

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cycloheptan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cycloheptanone CAS Name: 4-hydroxy-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cycloheptanone IUPAC Name: 4-hydroxy-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cycloheptan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cycloheptanone Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCCC2O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCCC2O)O

InChI

InChI=1S/C22H34O3/c1-4-5-6-7-13-22(2,3)16-11-12-18(21(25)14-16)19-15-17(23)9-8-10-20(19)24/h11-12,14,19-20,24-25H,4-10,13,15H2,1-3H3