4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-oxidanyl-phenyl)-4-hexyl-heptanedioic acid

Systemtic Name: 4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-oxidanyl-phenyl)-4-hexyl-heptanedioic acid Openeye Name: 4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-hydroxy-phenyl)-4-hexyl-heptanedioic acid CAS Name: 4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-hydroxyphenyl)-4-hexylheptanedioic acid IUPAC Name: 4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-hydroxyphenyl)-4-hexylheptanedioic acid Traditional Name: 4-butyl-3,5-bis(3-butyl-5-tert-butyl-4-hydroxy-phenyl)-4-hexyl-pimelic acid Formula: C45H72O6 MolecularWeight: 709.04958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)(C(CC(=O)O)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCC)C(CC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)CCCC

Isomeric SMILES

CCCCCCC(CCCC)(C(CC(=O)O)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCC)C(CC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)CCCC

InChI

InChI=1S/C45H72O6/c1-11-15-19-20-24-45(23-18-14-4,35(29-39(46)47)33-25-31(21-16-12-2)41(50)37(27-33)43(5,6)7)36(30-40(48)49)34-26-32(22-17-13-3)42(51)38(28-34)44(8,9)10/h25-28,35-36,50-51H,11-24,29-30H2,1-10H3,(H,46,47)(H,48,49)