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2,2-bis[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]propanedioic acid

2,2-bis[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]propanedioic acid

Systemtic Name:2,2-bis[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]propanedioic acid
Openeye Name:2,2-bis[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]propanedioic acid
CAS Name:2,2-bis[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]propanedioic acid
IUPAC Name:2,2-bis[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]propanedioic acid
Traditional Name:2,2-bis(3-tert-butyl-4-hydroxy-5-methyl-benzyl)malonic acid
Formula: C27H36O6
MolecularWeight: 456.57114
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H36O6/c1-15-9-17(11-19(21(15)28)25(3,4)5)13-27(23(30)31,24(32)33)14-18-10-16(2)22(29)20(12-18)26(6,7)8/h9-12,28-29H,13-14H2,1-8H3,(H,30,31)(H,32,33)


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