4-oxidanyl-3-pentan-2-yl-naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-pentan-2-yl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(1-methylbutyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-pentan-2-ylnaphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-pentan-2-ylnaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(1-methylbutyl)-1,2-naphthoquinone Formula: C15H16O3 MolecularWeight: 244.28574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C15H16O3/c1-3-6-9(2)12-13(16)10-7-4-5-8-11(10)14(17)15(12)18/h4-5,7-9,16H,3,6H2,1-2H3