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

Systemtic Name: 2-[2,4,6-trimethyl-3,5-bis(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[2,4,6-trimethyl-3,5-bis(1-methyl-1-phosphono-ethyl)phenyl]ethyl]phosphonic acid CAS Name: 2-[2,4,6-trimethyl-3,5-bis(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[2,4,6-trimethyl-3,5-bis(2-phosphonopropan-2-yl)phenyl]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[2,4,6-trimethyl-3,5-bis(1-methyl-1-phosphono-ethyl)phenyl]ethyl]phosphonic acid Formula: C18H33O9P3 MolecularWeight: 486.370503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(C)(C)P(=O)(O)O)C)C(C)(C)P(=O)(O)O)C)C(C)(C)P(=O)(O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1C(C)(C)P(=O)(O)O)C)C(C)(C)P(=O)(O)O)C)C(C)(C)P(=O)(O)O

InChI

InChI=1S/C18H33O9P3/c1-10-13(16(4,5)28(19,20)21)11(2)15(18(8,9)30(25,26)27)12(3)14(10)17(6,7)29(22,23)24/h1-9H3,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)