3-decyl-6-methoxy-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-decyl-6-methoxy-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-decyl-4-hydroxy-6-methoxy-naphthalene-1,2-dione CAS Name: 3-decyl-4-hydroxy-6-methoxynaphthalene-1,2-dione IUPAC Name: 3-decyl-4-hydroxy-6-methoxynaphthalene-1,2-dione Traditional Name: 3-decyl-4-hydroxy-6-methoxy-1,2-naphthoquinone Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C2=C(C=CC(=C2)OC)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCC1=C(C2=C(C=CC(=C2)OC)C(=O)C1=O)O

InChI

InChI=1S/C21H28O4/c1-3-4-5-6-7-8-9-10-11-17-19(22)18-14-15(25-2)12-13-16(18)20(23)21(17)24/h12-14,22H,3-11H2,1-2H3