2,2-bis[[2-chloranyl-4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2,2-bis[[2-chloranyl-4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioic acid Openeye Name: 2,2-bis[[2-chloro-4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioic acid CAS Name: 2,2-bis[[2-chloro-4-(2,2-dimethyl-1-oxopropyl)phenyl]methyl]propanedioic acid IUPAC Name: 2,2-bis[[2-chloro-4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioic acid Traditional Name: 2,2-bis(2-chloro-4-pivaloyl-benzyl)malonic acid Formula: C27H30Cl2O6 MolecularWeight: 521.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC(=C(C=C1)CC(CC2=C(C=C(C=C2)C(=O)C(C)(C)C)Cl)(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C(=O)C1=CC(=C(C=C1)CC(CC2=C(C=C(C=C2)C(=O)C(C)(C)C)Cl)(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C27H30Cl2O6/c1-25(2,3)21(30)15-7-9-17(19(28)11-15)13-27(23(32)33,24(34)35)14-18-10-8-16(12-20(18)29)22(31)26(4,5)6/h7-12H,13-14H2,1-6H3,(H,32,33)(H,34,35)