phenyl 2,7,7-trimethyloctanoate

Systemtic Name: phenyl 2,7,7-trimethyloctanoate Openeye Name: phenyl 2,7,7-trimethyloctanoate CAS Name: 2,7,7-trimethyloctanoic acid phenyl ester IUPAC Name: phenyl 2,7,7-trimethyloctanoate Traditional Name: 2,7,7-trimethylcaprylic acid phenyl ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(C)(C)C)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(CCCCC(C)(C)C)C(=O)OC1=CC=CC=C1

InChI

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