sodium [(6-butoxypyridin-3-yl)amino]methanesulfinic acid

Systemtic Name: sodium [(6-butoxypyridin-3-yl)amino]methanesulfinic acid Openeye Name: sodium [(6-butoxy-3-pyridyl)amino]methanesulfinic acid CAS Name: sodium [(6-butoxy-3-pyridinyl)amino]methanesulfinic acid IUPAC Name: sodium [(6-butoxypyridin-3-yl)amino]methanesulfinic acid Traditional Name: sodium [(6-butoxy-3-pyridyl)amino]methanesulfinic acid Formula: C10H16N2NaO3S+ MolecularWeight: 267.30041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1)NCS(=O)O.[Na+]

Isomeric SMILES

CCCCOC1=NC=C(C=C1)NCS(=O)O.[Na+]

InChI

InChI=1S/C10H16N2O3S.Na/c1-2-3-6-15-10-5-4-9(7-11-10)12-8-16(13)14;/h4-5,7,12H,2-3,6,8H2,1H3,(H,13,14);/q;+1