4-cyano-4-(3-fluorophenyl)-2,2-dimethyl-hexanedioic acid

Systemtic Name: 4-cyano-4-(3-fluorophenyl)-2,2-dimethyl-hexanedioic acid Openeye Name: 4-cyano-4-(3-fluorophenyl)-2,2-dimethyl-hexanedioic acid CAS Name: 4-cyano-4-(3-fluorophenyl)-2,2-dimethylhexanedioic acid IUPAC Name: 4-cyano-4-(3-fluorophenyl)-2,2-dimethylhexanedioic acid Traditional Name: 4-cyano-4-(3-fluorophenyl)-2,2-dimethyl-adipic acid Formula: C15H16FNO4 MolecularWeight: 293.290243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC(=O)O)(C#N)C1=CC(=CC=C1)F)C(=O)O

Isomeric SMILES

CC(C)(CC(CC(=O)O)(C#N)C1=CC(=CC=C1)F)C(=O)O

InChI

InChI=1S/C15H16FNO4/c1-14(2,13(20)21)8-15(9-17,7-12(18)19)10-4-3-5-11(16)6-10/h3-6H,7-8H2,1-2H3,(H,18,19)(H,20,21)