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

Systemtic Name: (phenylmethyl) 6-(2,5-dimethylphenoxy)-2-ethanoyl-hexanoate Openeye Name: benzyl 2-acetyl-6-(2,5-dimethylphenoxy)hexanoate CAS Name: 2-acetyl-6-(2,5-dimethylphenoxy)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-6-(2,5-dimethylphenoxy)hexanoate Traditional Name: 2-acetyl-6-(2,5-dimethylphenoxy)hexanoic acid benzyl ester Formula: C23H28O4 MolecularWeight: 368.46602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28O4/c1-17-12-13-18(2)22(15-17)26-14-8-7-11-21(19(3)24)23(25)27-16-20-9-5-4-6-10-20/h4-6,9-10,12-13,15,21H,7-8,11,14,16H2,1-3H3