3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione hydrochloride

Systemtic Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione hydrochloride Openeye Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione hydrochloride CAS Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione hydrochloride IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione hydrochloride Traditional Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone hydrochloride Formula: C22H20Cl2O3 MolecularWeight: 403.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.Cl

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.Cl

InChI

InChI=1S/C22H19ClO3.ClH/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;/h1-4,9-13,15,24H,5-8H2;1H