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

Systemtic Name: 5-[2,4,6-trimethyl-3-(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Openeye Name: [1-butyl-1-[3-(1-butyl-1-phosphono-pentyl)-2,4,6-trimethyl-phenyl]pentyl]phosphonic acid CAS Name: 5-[2,4,6-trimethyl-3-(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid IUPAC Name: 5-[2,4,6-trimethyl-3-(5-phosphonononan-5-yl)phenyl]nonan-5-ylphosphonic acid Traditional Name: [1-butyl-1-[3-(1-butyl-1-phosphono-pentyl)-2,4,6-trimethyl-phenyl]pentyl]phosphonic acid Formula: C27H50O6P2 MolecularWeight: 532.629822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50O6P2/c1-8-12-16-26(17-13-9-2,34(28,29)30)24-21(5)20-22(6)25(23(24)7)27(18-14-10-3,19-15-11-4)35(31,32)33/h20H,8-19H2,1-7H3,(H2,28,29,30)(H2,31,32,33)