4-[2,4,5-tris(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid

Systemtic Name: 4-[2,4,5-tris(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Openeye Name: [1-propyl-1-[2,4,5-tris(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid CAS Name: 4-[2,4,5-tris(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid IUPAC Name: 4-[2,4,5-tris(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Traditional Name: [1-propyl-1-[2,4,5-tris(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid Formula: C34H66O12P4 MolecularWeight: 790.775684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H66O12P4/c1-9-17-31(18-10-2,47(35,36)37)27-25-29(33(21-13-5,22-14-6)49(41,42)43)30(34(23-15-7,24-16-8)50(44,45)46)26-28(27)32(19-11-3,20-12-4)48(38,39)40/h25-26H,9-24H2,1-8H3,(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)