(E)-4-(7-chloranylquinolin-2-yl)but-3-ene-1-sulfonate

Systemtic Name: (E)-4-(7-chloranylquinolin-2-yl)but-3-ene-1-sulfonate Openeye Name: (E)-4-(7-chloro-2-quinolyl)but-3-ene-1-sulfonate CAS Name: (E)-4-(7-chloro-2-quinolinyl)-3-butene-1-sulfonate IUPAC Name: (E)-4-(7-chloroquinolin-2-yl)but-3-ene-1-sulfonate Traditional Name: (E)-4-(7-chloro-2-quinolyl)but-3-ene-1-sulfonate Formula: C13H11ClNO3S- MolecularWeight: 296.74934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C=CCCS(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)/C=C/CCS(=O)(=O)[O-])Cl

InChI

InChI=1S/C13H12ClNO3S/c14-11-6-4-10-5-7-12(15-13(10)9-11)3-1-2-8-19(16,17)18/h1,3-7,9H,2,8H2,(H,16,17,18)/p-1/b3-1+