4-(2-methylhexan-2-yl)benzoic acid

Systemtic Name: 4-(2-methylhexan-2-yl)benzoic acid Openeye Name: 4-(1,1-dimethylpentyl)benzoic acid CAS Name: 4-(2-methylhexan-2-yl)benzoic acid IUPAC Name: 4-(2-methylhexan-2-yl)benzoic acid Traditional Name: 4-(1,1-dimethylpentyl)benzoic acid Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(C)(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H20O2/c1-4-5-10-14(2,3)12-8-6-11(7-9-12)13(15)16/h6-9H,4-5,10H2,1-3H3,(H,15,16)