butyl 5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate

Systemtic Name: butyl 5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate Openeye Name: butyl 5-hydroxy-3-oxo-5-phenethyl-octanoate CAS Name: 5-hydroxy-3-oxo-5-phenethyloctanoic acid butyl ester IUPAC Name: butyl 5-hydroxy-3-oxo-5-phenethyloctanoate Traditional Name: 5-hydroxy-3-keto-5-phenethyl-caprylic acid butyl ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(=O)CC(CCC)(CCC1=CC=CC=C1)O

Isomeric SMILES

CCCCOC(=O)CC(=O)CC(CCC)(CCC1=CC=CC=C1)O

InChI

InChI=1S/C20H30O4/c1-3-5-14-24-19(22)15-18(21)16-20(23,12-4-2)13-11-17-9-7-6-8-10-17/h6-10,23H,3-5,11-16H2,1-2H3