4-(2,3,4,5,6-pentamethylphenyl)butanoate

Systemtic Name: 4-(2,3,4,5,6-pentamethylphenyl)butanoate Openeye Name: 4-(2,3,4,5,6-pentamethylphenyl)butanoate CAS Name: 4-(2,3,4,5,6-pentamethylphenyl)butanoate IUPAC Name: 4-(2,3,4,5,6-pentamethylphenyl)butanoate Traditional Name: 4-(2,3,4,5,6-pentamethylphenyl)butyrate Formula: C15H21O2- MolecularWeight: 233.32604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CCCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CCCC(=O)[O-])C)C

InChI

InChI=1S/C15H22O2/c1-9-10(2)12(4)14(13(5)11(9)3)7-6-8-15(16)17/h6-8H2,1-5H3,(H,16,17)/p-1