(4aS)-6,8-bis(bromanyl)-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione

Systemtic Name: (4aS)-6,8-bis(bromanyl)-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Openeye Name: (4aS)-6,8-dibromo-4a-isopentyl-1,4-benzodioxine-3,7-dione CAS Name: (4aS)-6,8-dibromo-4a-(3-methylbutyl)-1,4-benzodioxin-3,7-dione IUPAC Name: (4aS)-6,8-dibromo-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Traditional Name: (4aS)-6,8-dibromo-4a-isoamyl-1,4-benzodioxin-3,7-quinone Formula: C13H14Br2O4 MolecularWeight: 394.05586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC12C=C(C(=O)C(=C1OCC(=O)O2)Br)Br

Isomeric SMILES

CC(C)CC[C@]12C=C(C(=O)C(=C1OCC(=O)O2)Br)Br

InChI

InChI=1S/C13H14Br2O4/c1-7(2)3-4-13-5-8(14)11(17)10(15)12(13)18-6-9(16)19-13/h5,7H,3-4,6H2,1-2H3/t13-/m0/s1