5-(2,4,6-trimethylphenyl)pentanoate

Systemtic Name: 5-(2,4,6-trimethylphenyl)pentanoate Openeye Name: 5-(2,4,6-trimethylphenyl)pentanoate CAS Name: 5-(2,4,6-trimethylphenyl)pentanoate IUPAC Name: 5-(2,4,6-trimethylphenyl)pentanoate Traditional Name: 5-mesitylvalerate Formula: C14H19O2- MolecularWeight: 219.29946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CCCCC(=O)[O-])C

InChI

InChI=1S/C14H20O2/c1-10-8-11(2)13(12(3)9-10)6-4-5-7-14(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)/p-1