1-(2,2-diphosphonoethylamino)hexane-1-sulfonic acid

Systemtic Name: 1-(2,2-diphosphonoethylamino)hexane-1-sulfonic acid Openeye Name: 1-(2,2-diphosphonoethylamino)hexane-1-sulfonic acid CAS Name: 1-(2,2-diphosphonoethylamino)-1-hexanesulfonic acid IUPAC Name: 1-(2,2-diphosphonoethylamino)hexane-1-sulfonic acid Traditional Name: 1-(2,2-diphosphonoethylamino)hexane-1-sulfonic acid Formula: C8H21NO9P2S MolecularWeight: 369.266162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(NCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C8H21NO9P2S/c1-2-3-4-5-7(21(16,17)18)9-6-8(19(10,11)12)20(13,14)15/h7-9H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)(H,16,17,18)