(3S)-3-(3,4-dichlorophenyl)-4,4-dimethyl-pentanoic acid

Systemtic Name: (3S)-3-(3,4-dichlorophenyl)-4,4-dimethyl-pentanoic acid Openeye Name: (3S)-3-(3,4-dichlorophenyl)-4,4-dimethyl-pentanoic acid CAS Name: (3S)-3-(3,4-dichlorophenyl)-4,4-dimethylpentanoic acid IUPAC Name: (3S)-3-(3,4-dichlorophenyl)-4,4-dimethylpentanoic acid Traditional Name: (3S)-3-(3,4-dichlorophenyl)-4,4-dimethyl-valeric acid Formula: C13H16Cl2O2 MolecularWeight: 275.17094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2O2/c1-13(2,3)9(7-12(16)17)8-4-5-10(14)11(15)6-8/h4-6,9H,7H2,1-3H3,(H,16,17)/t9-/m1/s1