phenyl 7,7-dimethyloctanoate

Systemtic Name: phenyl 7,7-dimethyloctanoate Openeye Name: phenyl 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid phenyl ester IUPAC Name: phenyl 7,7-dimethyloctanoate Traditional Name: 7,7-dimethylcaprylic acid phenyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-16(2,3)13-9-5-8-12-15(17)18-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3