(E)-4-(4-chlorophenyl)-2,2,3-trimethyl-but-3-enoic acid

Systemtic Name: (E)-4-(4-chlorophenyl)-2,2,3-trimethyl-but-3-enoic acid Openeye Name: (E)-4-(4-chlorophenyl)-2,2,3-trimethyl-but-3-enoic acid CAS Name: (E)-4-(4-chlorophenyl)-2,2,3-trimethyl-3-butenoic acid IUPAC Name: (E)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid Traditional Name: (E)-4-(4-chlorophenyl)-2,2,3-trimethyl-but-3-enoic acid Formula: C13H15ClO2 MolecularWeight: 238.71

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO2/c1-9(13(2,3)12(15)16)8-10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)/b9-8+