O1-(2-methyl-2-adamantyl) O5-(3-methyl-5-oxidanylidene-oxolan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-(3-methyl-5-oxidanylidene-oxolan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-(3-methyl-5-oxo-tetrahydrofuran-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-(3-methyl-5-oxo-3-oxolanyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-(3-methyl-5-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-(5-keto-3-methyl-tetrahydrofuran-3-yl) ester O5-(2-methyl-2-adamantyl) ester Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC1(CC(=O)OC1)C)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC1(CC(=O)OC1)C)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C26H40O6/c1-7-24(4,14-23(2,3)21(28)31-25(5)13-20(27)30-15-25)22(29)32-26(6)18-9-16-8-17(11-18)12-19(26)10-16/h16-19H,7-15H2,1-6H3