(2R,4aS)-8-bromanyl-2-methyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione

Systemtic Name: (2R,4aS)-8-bromanyl-2-methyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Openeye Name: (2R,4aS)-8-bromo-4a-isopentyl-2-methyl-1,4-benzodioxine-3,7-dione CAS Name: (2R,4aS)-8-bromo-2-methyl-4a-(3-methylbutyl)-1,4-benzodioxin-3,7-dione IUPAC Name: (2R,4aS)-8-bromo-2-methyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Traditional Name: (2R,4aS)-8-bromo-4a-isoamyl-2-methyl-1,4-benzodioxin-3,7-quinone Formula: C14H17BrO4 MolecularWeight: 329.18638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC2(C=CC(=O)C(=C2O1)Br)CCC(C)C

Isomeric SMILES

C[C@@H]1C(=O)O[C@]2(C=CC(=O)C(=C2O1)Br)CCC(C)C

InChI

InChI=1S/C14H17BrO4/c1-8(2)4-6-14-7-5-10(16)11(15)12(14)18-9(3)13(17)19-14/h5,7-9H,4,6H2,1-3H3/t9-,14+/m1/s1