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

Systemtic Name: 3-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[4-(1,1-dimethylpropyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[4-(2-methylbutan-2-yl)cyclohexyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[4-(2-methylbutan-2-yl)cyclohexyl]naphthalene-1,2-dione Traditional Name: 3-(4-tert-amylcyclohexyl)-4-hydroxy-1,2-naphthoquinone Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-4-21(2,3)14-11-9-13(10-12-14)17-18(22)15-7-5-6-8-16(15)19(23)20(17)24/h5-8,13-14,22H,4,9-12H2,1-3H3