sodium [5-methyl-6-(oxidanidyloxymethyl)pyridin-3-yl] 2-iodanylethanesulfonate

Systemtic Name: sodium [5-methyl-6-(oxidanidyloxymethyl)pyridin-3-yl] 2-iodanylethanesulfonate Openeye Name: sodium [5-methyl-6-(oxidooxymethyl)-3-pyridyl] 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [5-methyl-6-(oxidooxymethyl)-3-pyridinyl] ester IUPAC Name: sodium [5-methyl-6-(oxidooxymethyl)pyridin-3-yl] 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [5-methyl-6-(oxidooxymethyl)-3-pyridyl] ester Formula: C9H11INNaO5S MolecularWeight: 395.14658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CO[O-])OS(=O)(=O)CCI.[Na+]

Isomeric SMILES

CC1=CC(=CN=C1CO[O-])OS(=O)(=O)CCI.[Na+]

InChI

InChI=1S/C9H12INO5S.Na/c1-7-4-8(5-11-9(7)6-15-12)16-17(13,14)3-2-10;/h4-5,12H,2-3,6H2,1H3;/q;+1/p-1