2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxy-phenyl)propanoic acid

Systemtic Name: 2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxy-phenyl)propanoic acid Openeye Name: 2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxy-phenyl)propanoic acid CAS Name: 2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxyphenyl)propanoic acid IUPAC Name: 2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxyphenyl)propanoic acid Traditional Name: 2-(diphosphonoamino)-2,3-diphosphono-3-(2,3,5,6-tetraphosphono-4-phosphonooxy-phenyl)propionic acid Formula: C9H20NO30P9 MolecularWeight: 901.007649

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(C(=C(C(=C1P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)C(C(C(=O)O)(N(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1(=C(C(=C(C(=C1P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)C(C(C(=O)O)(N(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H20NO30P9/c11-8(12)9(46(28,29)30,10(47(31,32)33)48(34,35)36)7(45(25,26)27)1-3(41(13,14)15)5(43(19,20)21)2(40-49(37,38)39)6(44(22,23)24)4(1)42(16,17)18/h7H,(H,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)