2-[2,4,5-tris(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[2,4,5-tris(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[2,4,5-tris(1-methyl-1-phosphono-ethyl)phenyl]ethyl]phosphonic acid CAS Name: 2-[2,4,5-tris(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[2,4,5-tris(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[2,4,5-tris(1-methyl-1-phosphono-ethyl)phenyl]ethyl]phosphonic acid Formula: C18H34O12P4 MolecularWeight: 566.350404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O12P4/c1-15(2,31(19,20)21)11-9-13(17(5,6)33(25,26)27)14(18(7,8)34(28,29)30)10-12(11)16(3,4)32(22,23)24/h9-10H,1-8H3,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)