3-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-5-methyl-phthalic acid

Systemtic Name: 3-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-5-methyl-phthalic acid Openeye Name: 3-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-5-methyl-phthalic acid CAS Name: 3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-5-methylphthalic acid IUPAC Name: 3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-5-methylphthalic acid Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methyl-benzyl)-5-methyl-phthalic acid Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)C(=O)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)C(=O)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O

InChI

InChI=1S/C21H24O5/c1-11-6-13(17(20(25)26)15(8-11)19(23)24)10-14-7-12(2)9-16(18(14)22)21(3,4)5/h6-9,22H,10H2,1-5H3,(H,23,24)(H,25,26)