[[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphono-methyl]phosphonic acid CAS Name: [[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[1,2-bis[bis(diphosphonomethyl)amino]ethylamino]-phosphono-methyl]phosphonic acid Formula: C7H29N3O30P10 MolecularWeight: 945.04487

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Descriptors Computed from Structure

Canonical SMILES:

C(C(NC(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(NC(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H29N3O30P10/c11-41(12,13)3(42(14,15)16)8-2(10(6(47(29,30)31)48(32,33)34)7(49(35,36)37)50(38,39)40)1-9(4(43(17,18)19)44(20,21)22)5(45(23,24)25)46(26,27)28/h2-8H,1H2,(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)(H2,38,39,40)