1,2,3,4,6,7,8,9-octaphosphonononan-5-ylphosphonic acid

Systemtic Name: 1,2,3,4,6,7,8,9-octaphosphonononan-5-ylphosphonic acid Openeye Name: [1-(1,2-diphosphonoethyl)-2,3,4,5,6,7-hexaphosphono-heptyl]phosphonic acid CAS Name: 1,2,3,4,6,7,8,9-octaphosphonononan-5-ylphosphonic acid IUPAC Name: 1,2,3,4,6,7,8,9-octaphosphonononan-5-ylphosphonic acid Traditional Name: [1-(1,2-diphosphonoethyl)-2,3,4,5,6,7-hexaphosphono-heptyl]phosphonic acid Formula: C9H29O27P9 MolecularWeight: 848.074209

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C(C(C(CP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(C(C(C(C(C(C(CP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H29O27P9/c10-37(11,12)1-3(39(16,17)18)5(41(22,23)24)7(43(28,29)30)9(45(34,35)36)8(44(31,32)33)6(42(25,26)27)4(40(19,20)21)2-38(13,14)15/h3-9H,1-2H2,(H2,10,11,12)(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)