(2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one

Systemtic Name: (2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one Openeye Name: (2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one CAS Name: (2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one IUPAC Name: (2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one Traditional Name: (2S,8aS)-2-tert-butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCC1)OC(OC2=O)C(C)(C)C

Isomeric SMILES

CC1=C2[C@H](CCC1)O[C@@H](OC2=O)C(C)(C)C

InChI

InChI=1S/C13H20O3/c1-8-6-5-7-9-10(8)11(14)16-12(15-9)13(2,3)4/h9,12H,5-7H2,1-4H3/t9-,12-/m0/s1