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

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

Systemtic Name:1-(2,2-diphosphonoethylamino)dodecane-1-sulfonic acid
Openeye Name:1-(2,2-diphosphonoethylamino)dodecane-1-sulfonic acid
CAS Name:1-(2,2-diphosphonoethylamino)-1-dodecanesulfonic acid
IUPAC Name:1-(2,2-diphosphonoethylamino)dodecane-1-sulfonic acid
Traditional Name:1-(2,2-diphosphonoethylamino)dodecane-1-sulfonic acid
Formula: C14H33NO9P2S
MolecularWeight: 453.425642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(NCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCC(NCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C14H33NO9P2S/c1-2-3-4-5-6-7-8-9-10-11-13(27(22,23)24)15-12-14(25(16,17)18)26(19,20)21/h13-15H,2-12H2,1H3,(H2,16,17,18)(H2,19,20,21)(H,22,23,24)


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