(3,5-ditert-butyl-2-hexyl-4-oxidanyl-phenyl)methylphosphonic acid

Systemtic Name: (3,5-ditert-butyl-2-hexyl-4-oxidanyl-phenyl)methylphosphonic acid Openeye Name: (3,5-ditert-butyl-2-hexyl-4-hydroxy-phenyl)methylphosphonic acid CAS Name: (3,5-ditert-butyl-2-hexyl-4-hydroxyphenyl)methylphosphonic acid IUPAC Name: (3,5-ditert-butyl-2-hexyl-4-hydroxyphenyl)methylphosphonic acid Traditional Name: (3,5-ditert-butyl-2-hexyl-4-hydroxy-benzyl)phosphonic acid Formula: C21H37O4P MolecularWeight: 384.489841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1CP(=O)(O)O)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1CP(=O)(O)O)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H37O4P/c1-8-9-10-11-12-16-15(14-26(23,24)25)13-17(20(2,3)4)19(22)18(16)21(5,6)7/h13,22H,8-12,14H2,1-7H3,(H2,23,24,25)