4,4-bis(2-tert-butyl-5-methyl-4-oxidanyl-phenyl)pentanoic acid

Systemtic Name: 4,4-bis(2-tert-butyl-5-methyl-4-oxidanyl-phenyl)pentanoic acid Openeye Name: 4,4-bis(2-tert-butyl-4-hydroxy-5-methyl-phenyl)pentanoic acid CAS Name: 4,4-bis(2-tert-butyl-4-hydroxy-5-methylphenyl)pentanoic acid IUPAC Name: 4,4-bis(2-tert-butyl-4-hydroxy-5-methylphenyl)pentanoic acid Traditional Name: 4,4-bis(2-tert-butyl-4-hydroxy-5-methyl-phenyl)valeric acid Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(C)(CCC(=O)O)C2=CC(=C(C=C2C(C)(C)C)O)C)C(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C(C)(CCC(=O)O)C2=CC(=C(C=C2C(C)(C)C)O)C)C(C)(C)C)O

InChI

InChI=1S/C27H38O4/c1-16-12-20(18(14-22(16)28)25(3,4)5)27(9,11-10-24(30)31)21-13-17(2)23(29)15-19(21)26(6,7)8/h12-15,28-29H,10-11H2,1-9H3,(H,30,31)