3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate

Systemtic Name: 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate Openeye Name: 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester Formula: C18H36O2 MolecularWeight: 284.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3