6-[2-[(1S,3R)-2,2-dimethyl-6-methylidene-3-oxidanyl-cyclohexyl]ethyl]naphthalene-1,4-dione

Systemtic Name: 6-[2-[(1S,3R)-2,2-dimethyl-6-methylidene-3-oxidanyl-cyclohexyl]ethyl]naphthalene-1,4-dione Openeye Name: 6-[2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]ethyl]naphthalene-1,4-dione CAS Name: 6-[2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]ethyl]naphthalene-1,4-dione IUPAC Name: 6-[2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]naphthalene-1,4-dione Traditional Name: 6-[2-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]ethyl]-1,4-naphthoquinone Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC(=C)C1CCC2=CC3=C(C=C2)C(=O)C=CC3=O)O)C

Isomeric SMILES

CC1([C@@H](CCC(=C)[C@@H]1CCC2=CC3=C(C=C2)C(=O)C=CC3=O)O)C

InChI

InChI=1S/C21H24O3/c1-13-4-11-20(24)21(2,3)17(13)8-6-14-5-7-15-16(12-14)19(23)10-9-18(15)22/h5,7,9-10,12,17,20,24H,1,4,6,8,11H2,2-3H3/t17-,20+/m0/s1