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

Systemtic Name: 3-[2,4,6-trimethyl-3,5-bis(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[3,5-bis(1-ethyl-1-phosphono-propyl)-2,4,6-trimethyl-phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2,4,6-trimethyl-3,5-bis(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,4,6-trimethyl-3,5-bis(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[3,5-bis(1-ethyl-1-phosphono-propyl)-2,4,6-trimethyl-phenyl]-1-ethyl-propyl]phosphonic acid Formula: C24H45O9P3 MolecularWeight: 570.529983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45O9P3/c1-10-22(11-2,34(25,26)27)19-16(7)20(23(12-3,13-4)35(28,29)30)18(9)21(17(19)8)24(14-5,15-6)36(31,32)33/h10-15H2,1-9H3,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)