2-tert-butyl-3-(phenylcarbonyl)naphthalene-1,4-dione

Systemtic Name: 2-tert-butyl-3-(phenylcarbonyl)naphthalene-1,4-dione Openeye Name: 2-benzoyl-3-tert-butyl-naphthalene-1,4-dione CAS Name: 2-benzoyl-3-tert-butylnaphthalene-1,4-dione IUPAC Name: 2-benzoyl-3-tert-butylnaphthalene-1,4-dione Traditional Name: 2-benzoyl-3-tert-butyl-1,4-naphthoquinone Formula: C21H18O3 MolecularWeight: 318.36582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O3/c1-21(2,3)17-16(18(22)13-9-5-4-6-10-13)19(23)14-11-7-8-12-15(14)20(17)24/h4-12H,1-3H3