3-(2-methyloctyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(2-methyloctyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(2-methyloctyl)-1,2-naphthoquinone Formula: C19H24O3 MolecularWeight: 300.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCC(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C19H24O3/c1-3-4-5-6-9-13(2)12-16-17(20)14-10-7-8-11-15(14)18(21)19(16)22/h7-8,10-11,13,20H,3-6,9,12H2,1-2H3