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

Systemtic Name: 3-[4-[(4-chloranylphenoxy)methyl]cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[4-[(4-chlorophenoxy)methyl]cyclohexyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[4-[(4-chlorophenoxy)methyl]cyclohexyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[4-[(4-chlorophenoxy)methyl]cyclohexyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[4-[(4-chlorophenoxy)methyl]cyclohexyl]-4-hydroxy-1,2-naphthoquinone Formula: C23H21ClO4 MolecularWeight: 396.86344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1COC2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1CC(CCC1COC2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C23H21ClO4/c24-16-9-11-17(12-10-16)28-13-14-5-7-15(8-6-14)20-21(25)18-3-1-2-4-19(18)22(26)23(20)27/h1-4,9-12,14-15,25H,5-8,13H2