3-[[4-(2-methylbutan-2-yl)cyclohexyl]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[[4-(2-methylbutan-2-yl)cyclohexyl]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[[4-(1,1-dimethylpropyl)cyclohexyl]methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[[4-(2-methylbutan-2-yl)cyclohexyl]methyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[[4-(2-methylbutan-2-yl)cyclohexyl]methyl]naphthalene-1,2-dione Traditional Name: 3-[(4-tert-amylcyclohexyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C22H28O3/c1-4-22(2,3)15-11-9-14(10-12-15)13-18-19(23)16-7-5-6-8-17(16)20(24)21(18)25/h5-8,14-15,23H,4,9-13H2,1-3H3