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(phenylmethyl) 7-oxidanylideneoctanoate

(phenylmethyl) 7-oxidanylideneoctanoate

Systemtic Name:(phenylmethyl) 7-oxidanylideneoctanoate
Openeye Name:benzyl 7-oxooctanoate
CAS Name:7-oxooctanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 7-oxooctanoate
Traditional Name:7-ketocaprylic acid benzyl ester
Formula: C15H20O3
MolecularWeight: 248.3175
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCC(=O)OCC1=CC=CC=C1


Isomeric SMILES

CC(=O)CCCCCC(=O)OCC1=CC=CC=C1


InChI

InChI=1S/C15H20O3/c1-13(16)8-4-2-7-11-15(17)18-12-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3


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