3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; oxiran-2-ylmethyl 7,7-dimethyloctanoate

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; oxiran-2-ylmethyl 7,7-dimethyloctanoate Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; oxiran-2-ylmethyl 7,7-dimethyloctanoate CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; oxiran-2-ylmethyl 7,7-dimethyloctanoate Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; 7,7-dimethylcaprylic acid glycidyl ester Formula: C21H34O6 MolecularWeight: 382.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)OCC1CO1.C1CCC2C(C1)C(=O)OC2=O

Isomeric SMILES

CC(C)(C)CCCCCC(=O)OCC1CO1.C1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C13H24O3.C8H10O3/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11;9-7-5-3-1-2-4-6(5)8(10)11-7/h11H,4-10H2,1-3H3;5-6H,1-4H2