4-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-1-sulfonic acid

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-1-sulfonic acid Openeye Name: 4-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-1-sulfonic acid CAS Name: 4-(2-ethoxy-2-oxoethyl)-1-pyridin-1-iumsulfonic acid IUPAC Name: 4-(2-ethoxy-2-oxoethyl)pyridin-1-ium-1-sulfonic acid Traditional Name: 4-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-1-sulfonic acid Formula: C9H12NO5S+ MolecularWeight: 246.26028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=[N+](C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CC1=CC=[N+](C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H11NO5S/c1-2-15-9(11)7-8-3-5-10(6-4-8)16(12,13)14/h3-6H,2,7H2,1H3/p+1