1,1-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)octadecan-2-ylphosphonic acid

Systemtic Name: 1,1-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)octadecan-2-ylphosphonic acid Openeye Name: 1-[bis(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]heptadecylphosphonic acid CAS Name: 1,1-bis(3,5-ditert-butyl-4-hydroxyphenyl)octadecan-2-ylphosphonic acid IUPAC Name: 1,1-bis(3,5-ditert-butyl-4-hydroxyphenyl)octadecan-2-ylphosphonic acid Traditional Name: 1-[bis(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]heptadecylphosphonic acid Formula: C46H79O5P MolecularWeight: 743.090221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C46H79O5P/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-39(52(49,50)51)40(33-29-35(43(2,3)4)41(47)36(30-33)44(5,6)7)34-31-37(45(8,9)10)42(48)38(32-34)46(11,12)13/h29-32,39-40,47-48H,14-28H2,1-13H3,(H2,49,50,51)