(phenylmethyl) 5-ethyl-5-oxidanyl-3,6-bis(oxidanylidene)octanoate

Systemtic Name: (phenylmethyl) 5-ethyl-5-oxidanyl-3,6-bis(oxidanylidene)octanoate Openeye Name: benzyl 5-ethyl-5-hydroxy-3,6-dioxo-octanoate CAS Name: 5-ethyl-5-hydroxy-3,6-dioxooctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-ethyl-5-hydroxy-3,6-dioxooctanoate Traditional Name: 5-ethyl-5-hydroxy-3,6-diketo-caprylic acid benzyl ester Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC)(CC(=O)CC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCC(=O)C(CC)(CC(=O)CC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C17H22O5/c1-3-15(19)17(21,4-2)11-14(18)10-16(20)22-12-13-8-6-5-7-9-13/h5-9,21H,3-4,10-12H2,1-2H3