1-phosphono-2-(pyridin-3-ylamino)ethanesulfonic acid

Systemtic Name: 1-phosphono-2-(pyridin-3-ylamino)ethanesulfonic acid Openeye Name: 1-phosphono-2-(3-pyridylamino)ethanesulfonic acid CAS Name: 1-phosphono-2-(3-pyridinylamino)ethanesulfonic acid IUPAC Name: 1-phosphono-2-(pyridin-3-ylamino)ethanesulfonic acid Traditional Name: 1-phosphono-2-(3-pyridylamino)ethanesulfonic acid Formula: C7H11N2O6PS MolecularWeight: 282.210801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)NCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C7H11N2O6PS/c10-16(11,12)7(17(13,14)15)5-9-6-2-1-3-8-4-6/h1-4,7,9H,5H2,(H2,10,11,12)(H,13,14,15)