(phenylmethyl) 6-(2,5-dimethylphenoxy)-2-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-(2,5-dimethylphenoxy)-2-oxidanylidene-hexanoate Openeye Name: benzyl 6-(2,5-dimethylphenoxy)-2-oxo-hexanoate CAS Name: 6-(2,5-dimethylphenoxy)-2-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2,5-dimethylphenoxy)-2-oxohexanoate Traditional Name: 6-(2,5-dimethylphenoxy)-2-keto-hexanoic acid benzyl ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCCC(=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCCC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24O4/c1-16-11-12-17(2)20(14-16)24-13-7-6-10-19(22)21(23)25-15-18-8-4-3-5-9-18/h3-5,8-9,11-12,14H,6-7,10,13,15H2,1-2H3