(E)-4-pyridin-2-ylbut-3-ene-1-sulfonate

Systemtic Name: (E)-4-pyridin-2-ylbut-3-ene-1-sulfonate Openeye Name: (E)-4-(2-pyridyl)but-3-ene-1-sulfonate CAS Name: (E)-4-(2-pyridinyl)-3-butene-1-sulfonate IUPAC Name: (E)-4-pyridin-2-ylbut-3-ene-1-sulfonate Traditional Name: (E)-4-(2-pyridyl)but-3-ene-1-sulfonate Formula: C9H10NO3S- MolecularWeight: 212.2456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)/C=C/CCS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO3S/c11-14(12,13)8-4-2-6-9-5-1-3-7-10-9/h1-3,5-7H,4,8H2,(H,11,12,13)/p-1/b6-2+