2-butyl-2-[(3-tert-butyl-5-carboxy-phenyl)methyl]propanedioic acid

Systemtic Name: 2-butyl-2-[(3-tert-butyl-5-carboxy-phenyl)methyl]propanedioic acid Openeye Name: 2-butyl-2-[(3-tert-butyl-5-carboxy-phenyl)methyl]propanedioic acid CAS Name: 2-butyl-2-[(3-tert-butyl-5-carboxyphenyl)methyl]propanedioic acid IUPAC Name: 2-butyl-2-[(3-tert-butyl-5-carboxyphenyl)methyl]propanedioic acid Traditional Name: 2-butyl-2-(3-tert-butyl-5-carboxy-benzyl)malonic acid Formula: C19H26O6 MolecularWeight: 350.40614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O6/c1-5-6-7-19(16(22)23,17(24)25)11-12-8-13(15(20)21)10-14(9-12)18(2,3)4/h8-10H,5-7,11H2,1-4H3,(H,20,21)(H,22,23)(H,24,25)