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

Systemtic Name: (E)-4-quinolin-2-ylbut-3-ene-1-sulfonate Openeye Name: (E)-4-(2-quinolyl)but-3-ene-1-sulfonate CAS Name: (E)-4-(2-quinolinyl)-3-butene-1-sulfonate IUPAC Name: (E)-4-quinolin-2-ylbut-3-ene-1-sulfonate Traditional Name: (E)-4-(2-quinolyl)but-3-ene-1-sulfonate Formula: C13H12NO3S- MolecularWeight: 262.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c15-18(16,17)10-4-3-6-12-9-8-11-5-1-2-7-13(11)14-12/h1-3,5-9H,4,10H2,(H,15,16,17)/p-1/b6-3+