2-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]propanedioic acid

Systemtic Name: 2-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]propanedioic acid Openeye Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)methyl]propanedioic acid CAS Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]propanedioic acid IUPAC Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]propanedioic acid Traditional Name: 2-(5-tert-butyl-4-hydroxy-2,3-dimethyl-benzyl)malonic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CC(C(=O)O)C(=O)O)C(C)(C)C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1CC(C(=O)O)C(=O)O)C(C)(C)C)O)C

InChI

InChI=1S/C16H22O5/c1-8-9(2)13(17)12(16(3,4)5)7-10(8)6-11(14(18)19)15(20)21/h7,11,17H,6H2,1-5H3,(H,18,19)(H,20,21)