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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1(CCCCC1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCC(C)(C)C1(CCCCC1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C21H26O3/c1-4-20(2,3)21(12-8-5-9-13-21)16-17(22)14-10-6-7-11-15(14)18(23)19(16)24/h6-7,10-11,22H,4-5,8-9,12-13H2,1-3H3