2,2-bis[1-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)nonadecyl]propanedioic acid

Systemtic Name: 2,2-bis[1-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)nonadecyl]propanedioic acid Openeye Name: 2,2-bis[1-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)nonadecyl]propanedioic acid CAS Name: 2,2-bis[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonadecyl]propanedioic acid IUPAC Name: 2,2-bis[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonadecyl]propanedioic acid Traditional Name: 2,2-bis[1-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)nonadecyl]malonic acid Formula: C63H108O6 MolecularWeight: 961.52802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(C(CCCCCCCCCCCCCCCCCC)C2=CC(=C(C(=C2)C(C)(C)C)O)C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(C(CCCCCCCCCCCCCCCCCC)C2=CC(=C(C(=C2)C(C)(C)C)O)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C63H108O6/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-53(51-45-49(3)57(64)55(47-51)61(5,6)7)63(59(66)67,60(68)69)54(52-46-50(4)58(65)56(48-52)62(8,9)10)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h45-48,53-54,64-65H,11-44H2,1-10H3,(H,66,67)(H,68,69)