O5-tert-butyl O1-(2-methyl-1-adamantyl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O5-tert-butyl O1-(2-methyl-1-adamantyl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-tert-butyl O5-(2-methyl-1-adamantyl) 4-ethyl-2,2,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O5-tert-butyl ester O1-(2-methyl-1-adamantyl) ester IUPAC Name: 5-O-tert-butyl 1-O-(2-methyl-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-tert-butyl ester O5-(2-methyl-1-adamantyl) ester Formula: C25H42O4 MolecularWeight: 406.59858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2C

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2C

InChI

InChI=1S/C25H42O4/c1-9-24(8,15-23(6,7)20(26)28-22(3,4)5)21(27)29-25-13-17-10-18(14-25)12-19(11-17)16(25)2/h16-19H,9-15H2,1-8H3