3-(2-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-4-hydroxy-6,7-dimethoxy-naphthalene-1,2-dione CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-1,2-dione IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-1,2-dione Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-4-hydroxy-6,7-dimethoxy-1,2-naphthoquinone Formula: C20H17BrO7 MolecularWeight: 449.24878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)C3=CC(=C(C=C3Br)OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)C3=CC(=C(C=C3Br)OC)OC)O)OC

InChI

InChI=1S/C20H17BrO7/c1-25-13-5-9-10(6-14(13)26-2)19(23)20(24)17(18(9)22)11-7-15(27-3)16(28-4)8-12(11)21/h5-8,22H,1-4H3