4-(4-methoxy-2,5-dimethyl-phenyl)butanoate

Systemtic Name: 4-(4-methoxy-2,5-dimethyl-phenyl)butanoate Openeye Name: 4-(4-methoxy-2,5-dimethyl-phenyl)butanoate CAS Name: 4-(4-methoxy-2,5-dimethylphenyl)butanoate IUPAC Name: 4-(4-methoxy-2,5-dimethylphenyl)butanoate Traditional Name: 4-(4-methoxy-2,5-dimethyl-phenyl)butyrate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CCCC(=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CCCC(=O)[O-])C)OC

InChI

InChI=1S/C13H18O3/c1-9-8-12(16-3)10(2)7-11(9)5-4-6-13(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/p-1