octane-1-sulfonate; 2-pyridin-2-ylpyridine-3-sulfonic acid

Systemtic Name: octane-1-sulfonate; 2-pyridin-2-ylpyridine-3-sulfonic acid Openeye Name: octane-1-sulfonate; 2-(2-pyridyl)pyridine-3-sulfonic acid CAS Name: 1-octanesulfonate; 2-(2-pyridinyl)-3-pyridinesulfonic acid IUPAC Name: octane-1-sulfonate; 2-pyridin-2-ylpyridine-3-sulfonic acid Traditional Name: octane-1-sulfonate; 2-(2-pyridyl)pyridine-3-sulfonic acid Formula: C18H25N2O6S2- MolecularWeight: 429.5309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].C1=CC=NC(=C1)C2=C(C=CC=N2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].C1=CC=NC(=C1)C2=C(C=CC=N2)S(=O)(=O)O

InChI

InChI=1S/C10H8N2O3S.C8H18O3S/c13-16(14,15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;1-2-3-4-5-6-7-8-12(9,10)11/h1-7H,(H,13,14,15);2-8H2,1H3,(H,9,10,11)/p-1