5-(3-tert-butylphenyl)-4-methyl-pentanoate

Systemtic Name: 5-(3-tert-butylphenyl)-4-methyl-pentanoate Openeye Name: 5-(3-tert-butylphenyl)-4-methyl-pentanoate CAS Name: 5-(3-tert-butylphenyl)-4-methylpentanoate IUPAC Name: 5-(3-tert-butylphenyl)-4-methylpentanoate Traditional Name: 5-(3-tert-butylphenyl)-4-methyl-valerate Formula: C16H23O2- MolecularWeight: 247.35262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-12(8-9-15(17)18)10-13-6-5-7-14(11-13)16(2,3)4/h5-7,11-12H,8-10H2,1-4H3,(H,17,18)/p-1