3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxiran-2-ylmethyl 2-ethyl-2,5-dimethyl-hexanoate

Systemtic Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxiran-2-ylmethyl 2-ethyl-2,5-dimethyl-hexanoate Openeye Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxiran-2-ylmethyl 2-ethyl-2,5-dimethyl-hexanoate CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 2-ethyl-2,5-dimethylhexanoic acid 2-oxiranylmethyl ester; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxiran-2-ylmethyl 2-ethyl-2,5-dimethylhexanoate Traditional Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone; 2-ethyl-2,5-dimethyl-hexanoic acid glycidyl ester; 2-ethyl-2-methylol-propane-1,3-diol Formula: C27H48O9 MolecularWeight: 516.66462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C)C)C(=O)OCC1CO1.CCC(CO)(CO)CO.C1CCC2C(C1)C(=O)OC2=O

Isomeric SMILES

CCC(C)(CCC(C)C)C(=O)OCC1CO1.CCC(CO)(CO)CO.C1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C13H24O3.C8H10O3.C6H14O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9/h10-11H,5-9H2,1-4H3;5-6H,1-4H2;7-9H,2-5H2,1H3