3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-(4-hydroxyphenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-])O

InChI

InChI=1S/C16H17NO4S/c18-16-6-4-14(5-7-16)2-3-15-8-11-17(12-9-15)10-1-13-22(19,20)21/h2-9,11-12H,1,10,13H2,(H,19,20,21)