5-oxidanyl-5-phenethyl-octanoate

Systemtic Name: 5-oxidanyl-5-phenethyl-octanoate Openeye Name: 5-hydroxy-5-phenethyl-octanoate CAS Name: 5-hydroxy-5-phenethyloctanoate IUPAC Name: 5-hydroxy-5-phenethyloctanoate Traditional Name: 5-hydroxy-5-phenethyl-caprylate Formula: C16H23O3- MolecularWeight: 263.35202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=O)[O-])(CCC1=CC=CC=C1)O

Isomeric SMILES

CCCC(CCCC(=O)[O-])(CCC1=CC=CC=C1)O

InChI

InChI=1S/C16H24O3/c1-2-11-16(19,12-6-9-15(17)18)13-10-14-7-4-3-5-8-14/h3-5,7-8,19H,2,6,9-13H2,1H3,(H,17,18)/p-1