2-[3,6,7-tris(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid

Systemtic Name: 2-[3,6,7-tris(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[3,6,7-tris(1-methyl-1-phosphono-ethyl)-2-naphthyl]ethyl]phosphonic acid CAS Name: 2-[3,6,7-tris(2-phosphonopropan-2-yl)-2-naphthalenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[3,6,7-tris(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[3,6,7-tris(1-methyl-1-phosphono-ethyl)-2-naphthyl]ethyl]phosphonic acid Formula: C22H36O12P4 MolecularWeight: 616.409084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=CC(=C(C=C2C=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=CC2=CC(=C(C=C2C=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/C22H36O12P4/c1-19(2,35(23,24)25)15-9-13-11-17(21(5,6)37(29,30)31)18(22(7,8)38(32,33)34)12-14(13)10-16(15)20(3,4)36(26,27)28/h9-12H,1-8H3,(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)