2-butyl-3,6-dimethyl-naphthalene-1,4-dione

Systemtic Name: 2-butyl-3,6-dimethyl-naphthalene-1,4-dione Openeye Name: 2-butyl-3,6-dimethyl-naphthalene-1,4-dione CAS Name: 2-butyl-3,6-dimethylnaphthalene-1,4-dione IUPAC Name: 2-butyl-3,6-dimethylnaphthalene-1,4-dione Traditional Name: 2-butyl-3,6-dimethyl-1,4-naphthoquinone Formula: C16H18O2 MolecularWeight: 242.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C2=C(C1=O)C=CC(=C2)C)C

Isomeric SMILES

CCCCC1=C(C(=O)C2=C(C1=O)C=CC(=C2)C)C

InChI

InChI=1S/C16H18O2/c1-4-5-6-12-11(3)15(17)14-9-10(2)7-8-13(14)16(12)18/h7-9H,4-6H2,1-3H3