(3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoic acid

Systemtic Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoic acid Openeye Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoic acid CAS Name: (3S)-3-(2,5-dimethylphenyl)-4-methylpentanoic acid IUPAC Name: (3S)-3-(2,5-dimethylphenyl)-4-methylpentanoic acid Traditional Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-valeric acid Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@H](CC(=O)O)C(C)C

InChI

InChI=1S/C14H20O2/c1-9(2)12(8-14(15)16)13-7-10(3)5-6-11(13)4/h5-7,9,12H,8H2,1-4H3,(H,15,16)/t12-/m0/s1