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

Systemtic Name: 3-[4-(2-methyl-1-oxidanyl-propan-2-yl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[4-(2-hydroxy-1,1-dimethyl-ethyl)cyclohexyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[4-(1-hydroxy-2-methylpropan-2-yl)cyclohexyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[4-(1-hydroxy-2-methylpropan-2-yl)cyclohexyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[4-(2-hydroxy-1,1-dimethyl-ethyl)cyclohexyl]-1,2-naphthoquinone Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4/c1-20(2,11-21)13-9-7-12(8-10-13)16-17(22)14-5-3-4-6-15(14)18(23)19(16)24/h3-6,12-13,21-22H,7-11H2,1-2H3