2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexane-1,4-diol

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexane-1,4-diol Openeye Name: 2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexane-1,4-diol CAS Name: 2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexane-1,4-diol IUPAC Name: 2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexane-1,4-diol Traditional Name: 2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexane-1,4-diol Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3/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/h8,10,13,16,18-19,22-24H,4-7,9,11-12,14H2,1-3H3