methyl 4-(2,5-dimethylphenyl)butanoate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)butanoate Openeye Name: methyl 4-(2,5-dimethylphenyl)butanoate CAS Name: 4-(2,5-dimethylphenyl)butanoic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)butanoate Traditional Name: 4-(2,5-dimethylphenyl)butyric acid methyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CCCC(=O)OC

InChI

InChI=1S/C13H18O2/c1-10-7-8-11(2)12(9-10)5-4-6-13(14)15-3/h7-9H,4-6H2,1-3H3