3,7,7-trimethyloctyl 2,6,6-trimethylheptanoate

Systemtic Name: 3,7,7-trimethyloctyl 2,6,6-trimethylheptanoate Openeye Name: 3,7,7-trimethyloctyl 2,6,6-trimethylheptanoate CAS Name: 2,6,6-trimethylheptanoic acid 3,7,7-trimethyloctyl ester IUPAC Name: 3,7,7-trimethyloctyl 2,6,6-trimethylheptanoate Traditional Name: 2,6,6-trimethylenanthic acid 3,7,7-trimethyloctyl ester Formula: C21H42O2 MolecularWeight: 326.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)C)CCOC(=O)C(C)CCCC(C)(C)C

Isomeric SMILES

CC(CCCC(C)(C)C)CCOC(=O)C(C)CCCC(C)(C)C

InChI

InChI=1S/C21H42O2/c1-17(11-9-14-20(3,4)5)13-16-23-19(22)18(2)12-10-15-21(6,7)8/h17-18H,9-16H2,1-8H3