(Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate

Systemtic Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Openeye Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate CAS Name: (Z)-2-[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]-3-(4-hydroxyphenyl)-2-propene-1-sulfonate IUPAC Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Traditional Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(CS(=O)(=O)[O-])C2=CC=[N+](C=C2)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c18-10-9-17-7-5-14(6-8-17)15(12-23(20,21)22)11-13-1-3-16(19)4-2-13/h1-8,11,18H,9-10,12H2,(H,20,21,22)