(E)-2-(1-ethylpyridin-1-ium-4-yl)-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate

Systemtic Name: (E)-2-(1-ethylpyridin-1-ium-4-yl)-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Openeye Name: (E)-2-(1-ethylpyridin-1-ium-4-yl)-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate CAS Name: (E)-2-(1-ethyl-4-pyridin-1-iumyl)-3-(4-hydroxyphenyl)-2-propene-1-sulfonate IUPAC Name: (E)-2-(1-ethylpyridin-1-ium-4-yl)-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Traditional Name: (E)-2-(1-ethylpyridin-1-ium-4-yl)-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C(=CC2=CC=C(C=C2)O)CS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)O)/CS(=O)(=O)[O-]

InChI

InChI=1S/C16H17NO4S/c1-2-17-9-7-14(8-10-17)15(12-22(19,20)21)11-13-3-5-16(18)6-4-13/h3-11H,2,12H2,1H3,(H,19,20,21)