2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate Openeye Name: 2,2-dimethylpropane-1,3-diol; isobenzofuran-1,3-dione; oxiran-2-ylmethyl 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester; 2,2-dimethylpropane-1,3-diol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate Traditional Name: 7,7-dimethylcaprylic acid glycidyl ester; 2,2-dimethylpropane-1,3-diol; phthalic anhydride Formula: C26H40O8 MolecularWeight: 480.591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)OCC1CO1.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

Isomeric SMILES

CC(C)(C)CCCCCC(=O)OCC1CO1.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O

InChI

InChI=1S/C13H24O3.C8H4O3.C5H12O2/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;1-5(2,3-6)4-7/h11H,4-10H2,1-3H3;1-4H;6-7H,3-4H2,1-2H3