5-[2,4,5-tris(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid

Systemtic Name: 5-[2,4,5-tris(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Openeye Name: [1-butyl-1-[2,4,5-tris(1-butyl-1-phosphono-pentyl)phenyl]pentyl]phosphonic acid CAS Name: 5-[2,4,5-tris(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid IUPAC Name: 5-[2,4,5-tris(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Traditional Name: [1-butyl-1-[2,4,5-tris(1-butyl-1-phosphono-pentyl)phenyl]pentyl]phosphonic acid Formula: C42H82O12P4 MolecularWeight: 902.988324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H82O12P4/c1-9-17-25-39(26-18-10-2,55(43,44)45)35-33-37(41(29-21-13-5,30-22-14-6)57(49,50)51)38(42(31-23-15-7,32-24-16-8)58(52,53)54)34-36(35)40(27-19-11-3,28-20-12-4)56(46,47)48/h33-34H,9-32H2,1-8H3,(H2,43,44,45)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)