3,5,5-trimethylhexyl 2-phenylethanoate

Systemtic Name: 3,5,5-trimethylhexyl 2-phenylethanoate Openeye Name: 3,5,5-trimethylhexyl 2-phenylacetate CAS Name: 2-phenylacetic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 3,5,5-trimethylhexyl ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)CC1=CC=CC=C1)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)CC1=CC=CC=C1)CC(C)(C)C

InChI

InChI=1S/C17H26O2/c1-14(13-17(2,3)4)10-11-19-16(18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3