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4,4-bis(5-tert-butyl-2-methyl-3-oxidanyl-phenyl)pentanoic acid

4,4-bis(5-tert-butyl-2-methyl-3-oxidanyl-phenyl)pentanoic acid

Systemtic Name:4,4-bis(5-tert-butyl-2-methyl-3-oxidanyl-phenyl)pentanoic acid
Openeye Name:4,4-bis(5-tert-butyl-3-hydroxy-2-methyl-phenyl)pentanoic acid
CAS Name:4,4-bis(5-tert-butyl-3-hydroxy-2-methylphenyl)pentanoic acid
IUPAC Name:4,4-bis(5-tert-butyl-3-hydroxy-2-methylphenyl)pentanoic acid
Traditional Name:4,4-bis(5-tert-butyl-3-hydroxy-2-methyl-phenyl)valeric acid
Formula: C27H38O4
MolecularWeight: 426.58822
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1O)C(C)(C)C)C(C)(CCC(=O)O)C2=C(C(=CC(=C2)C(C)(C)C)O)C


Isomeric SMILES

CC1=C(C=C(C=C1O)C(C)(C)C)C(C)(CCC(=O)O)C2=C(C(=CC(=C2)C(C)(C)C)O)C


InChI

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


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