6-butyl-2-chloranyl-7-methoxy-8-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 6-butyl-2-chloranyl-7-methoxy-8-oxidanyl-naphthalene-1,4-dione Openeye Name: 6-butyl-2-chloro-8-hydroxy-7-methoxy-naphthalene-1,4-dione CAS Name: 6-butyl-2-chloro-8-hydroxy-7-methoxynaphthalene-1,4-dione IUPAC Name: 6-butyl-2-chloro-8-hydroxy-7-methoxynaphthalene-1,4-dione Traditional Name: 6-butyl-2-chloro-8-hydroxy-7-methoxy-1,4-naphthoquinone Formula: C15H15ClO4 MolecularWeight: 294.7302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C(=C1)C(=O)C=C(C2=O)Cl)O)OC

Isomeric SMILES

CCCCC1=C(C(=C2C(=C1)C(=O)C=C(C2=O)Cl)O)OC

InChI

InChI=1S/C15H15ClO4/c1-3-4-5-8-6-9-11(17)7-10(16)13(18)12(9)14(19)15(8)20-2/h6-7,19H,3-5H2,1-2H3