3-[2,4,5-tris(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2,4,5-tris(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[2,4,5-tris(1-ethyl-1-phosphono-propyl)phenyl]propyl]phosphonic acid CAS Name: 3-[2,4,5-tris(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,4,5-tris(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[2,4,5-tris(1-ethyl-1-phosphono-propyl)phenyl]propyl]phosphonic acid Formula: C26H50O12P4 MolecularWeight: 678.563044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50O12P4/c1-9-23(10-2,39(27,28)29)19-17-21(25(13-5,14-6)41(33,34)35)22(26(15-7,16-8)42(36,37)38)18-20(19)24(11-3,12-4)40(30,31)32/h17-18H,9-16H2,1-8H3,(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)