3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-7,8-dimethyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-7,8-dimethyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-4-hydroxy-7,8-dimethyl-naphthalene-1,2-dione CAS Name: 3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-4-hydroxy-7,8-dimethylnaphthalene-1,2-dione IUPAC Name: 3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-4-hydroxy-7,8-dimethylnaphthalene-1,2-dione Traditional Name: 3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-4-hydroxy-7,8-dimethyl-1,2-naphthoquinone Formula: C22H21BrO4 MolecularWeight: 429.30374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C3=CC(=C(C(=C3)Br)O)C(C)(C)C)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C3=CC(=C(C(=C3)Br)O)C(C)(C)C)O)C

InChI

InChI=1S/C22H21BrO4/c1-10-6-7-13-16(11(10)2)20(26)21(27)17(18(13)24)12-8-14(22(3,4)5)19(25)15(23)9-12/h6-9,24-25H,1-5H3