2-(2-butyl-3,5-ditert-butyl-4-oxidanyl-phenyl)propanedioic acid

Systemtic Name: 2-(2-butyl-3,5-ditert-butyl-4-oxidanyl-phenyl)propanedioic acid Openeye Name: 2-(2-butyl-3,5-ditert-butyl-4-hydroxy-phenyl)propanedioic acid CAS Name: 2-(2-butyl-3,5-ditert-butyl-4-hydroxyphenyl)propanedioic acid IUPAC Name: 2-(2-butyl-3,5-ditert-butyl-4-hydroxyphenyl)propanedioic acid Traditional Name: 2-(2-butyl-3,5-ditert-butyl-4-hydroxy-phenyl)malonic acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1C(C(=O)O)C(=O)O)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1C(C(=O)O)C(=O)O)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H32O5/c1-8-9-10-12-13(15(18(23)24)19(25)26)11-14(20(2,3)4)17(22)16(12)21(5,6)7/h11,15,22H,8-10H2,1-7H3,(H,23,24)(H,25,26)