5-[2,4,6-trimethyl-3,5-bis(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid

Systemtic Name: 5-[2,4,6-trimethyl-3,5-bis(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Openeye Name: [1-[3,5-bis(1-butyl-1-phosphono-pentyl)-2,4,6-trimethyl-phenyl]-1-butyl-pentyl]phosphonic acid CAS Name: 5-[2,4,6-trimethyl-3,5-bis(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid IUPAC Name: 5-[2,4,6-trimethyl-3,5-bis(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Traditional Name: [1-[3,5-bis(1-butyl-1-phosphono-pentyl)-2,4,6-trimethyl-phenyl]-1-butyl-pentyl]phosphonic acid Formula: C36H69O9P3 MolecularWeight: 738.848943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=C(C(=C(C(=C1C)C(CCCC)(CCCC)P(=O)(O)O)C)C(CCCC)(CCCC)P(=O)(O)O)C)P(=O)(O)O

Isomeric SMILES

CCCCC(CCCC)(C1=C(C(=C(C(=C1C)C(CCCC)(CCCC)P(=O)(O)O)C)C(CCCC)(CCCC)P(=O)(O)O)C)P(=O)(O)O

InChI

InChI=1S/C36H69O9P3/c1-10-16-22-34(23-17-11-2,46(37,38)39)31-28(7)32(35(24-18-12-3,25-19-13-4)47(40,41)42)30(9)33(29(31)8)36(26-20-14-5,27-21-15-6)48(43,44)45/h10-27H2,1-9H3,(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)