[[2-fluoranyl-4,5-bis(triphosphonomethyl)phenyl]-diphosphono-methyl]phosphonic acid

Systemtic Name: [[2-fluoranyl-4,5-bis(triphosphonomethyl)phenyl]-diphosphono-methyl]phosphonic acid Openeye Name: [[2-fluoro-4,5-bis(triphosphonomethyl)phenyl]-diphosphono-methyl]phosphonic acid CAS Name: [[2-fluoro-4,5-bis(triphosphonomethyl)phenyl]-diphosphonomethyl]phosphonic acid IUPAC Name: [[2-fluoro-4,5-bis(triphosphonomethyl)phenyl]-diphosphonomethyl]phosphonic acid Traditional Name: [[2-fluoro-4,5-bis(triphosphonomethyl)phenyl]-diphosphono-methyl]phosphonic acid Formula: C9H20FO27P9 MolecularWeight: 858.001152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20FO27P9/c10-6-2-4(8(41(20,21)22,42(23,24)25)43(26,27)28)3(7(38(11,12)13,39(14,15)16)40(17,18)19)1-5(6)9(44(29,30)31,45(32,33)34)46(35,36)37/h1-2H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)