[3-methyl-2-[2-methyl-6-(phosphonomethoxycarbonyl)phenyl]phenyl]carbonyloxymethylphosphonic acid

Systemtic Name: [3-methyl-2-[2-methyl-6-(phosphonomethoxycarbonyl)phenyl]phenyl]carbonyloxymethylphosphonic acid Openeye Name: [3-methyl-2-[2-methyl-6-(phosphonomethoxycarbonyl)phenyl]benzoyl]oxymethylphosphonic acid CAS Name: [[3-methyl-2-[2-methyl-6-[oxo(phosphonomethoxy)methyl]phenyl]phenyl]-oxomethoxy]methylphosphonic acid IUPAC Name: [3-methyl-2-[2-methyl-6-(phosphonomethoxycarbonyl)phenyl]benzoyl]oxymethylphosphonic acid Traditional Name: [3-methyl-2-[2-methyl-6-(phosphonomethoxycarbonyl)phenyl]benzoyl]oxymethylphosphonic acid Formula: C18H20O10P2 MolecularWeight: 458.292922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=C(C=CC=C2C)C(=O)OCP(=O)(O)O)C(=O)OCP(=O)(O)O

Isomeric SMILES

CC1=CC=CC(=C1C2=C(C=CC=C2C)C(=O)OCP(=O)(O)O)C(=O)OCP(=O)(O)O

InChI

InChI=1S/C18H20O10P2/c1-11-5-3-7-13(17(19)27-9-29(21,22)23)15(11)16-12(2)6-4-8-14(16)18(20)28-10-30(24,25)26/h3-8H,9-10H2,1-2H3,(H2,21,22,23)(H2,24,25,26)