phenyl 2-(2,2-dimethyl-1-oxidanyl-propyl)octanoate

Systemtic Name: phenyl 2-(2,2-dimethyl-1-oxidanyl-propyl)octanoate Openeye Name: phenyl 2-(1-hydroxy-2,2-dimethyl-propyl)octanoate CAS Name: 2-(1-hydroxy-2,2-dimethylpropyl)octanoic acid phenyl ester IUPAC Name: phenyl 2-(1-hydroxy-2,2-dimethylpropyl)octanoate Traditional Name: 2-(1-hydroxy-2,2-dimethyl-propyl)caprylic acid phenyl ester Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3/c1-5-6-7-11-14-16(17(20)19(2,3)4)18(21)22-15-12-9-8-10-13-15/h8-10,12-13,16-17,20H,5-7,11,14H2,1-4H3