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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)C)CC(CC2=CC(=C(C(=C2)CCCC)O)C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)C)CC(CC2=CC(=C(C(=C2)CCCC)O)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H36O6/c1-5-7-9-21-13-19(11-17(3)23(21)28)15-27(25(30)31,26(32)33)16-20-12-18(4)24(29)22(14-20)10-8-6-2/h11-14,28-29H,5-10,15-16H2,1-4H3,(H,30,31)(H,32,33)