(2S,4aR)-2,8-dimethyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione

Systemtic Name: (2S,4aR)-2,8-dimethyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Openeye Name: (2S,4aR)-4a-isopentyl-2,8-dimethyl-1,4-benzodioxine-3,7-dione CAS Name: (2S,4aR)-2,8-dimethyl-4a-(3-methylbutyl)-1,4-benzodioxin-3,7-dione IUPAC Name: (2S,4aR)-2,8-dimethyl-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione Traditional Name: (2S,4aR)-4a-isoamyl-2,8-dimethyl-1,4-benzodioxin-3,7-quinone Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4/c1-9(2)5-7-15-8-6-12(16)10(3)13(15)18-11(4)14(17)19-15/h6,8-9,11H,5,7H2,1-4H3/t11-,15+/m0/s1