propane-1-sulfonate; 4-[(E)-2-pyridin-1-ium-4-ylethenyl]phenol

Systemtic Name: propane-1-sulfonate; 4-[(E)-2-pyridin-1-ium-4-ylethenyl]phenol Openeye Name: propane-1-sulfonate; 4-[(E)-2-pyridin-1-ium-4-ylvinyl]phenol CAS Name: 1-propanesulfonate; 4-[(E)-2-(4-pyridin-1-iumyl)ethenyl]phenol IUPAC Name: propane-1-sulfonate; 4-[(E)-2-pyridin-1-ium-4-ylethenyl]phenol Traditional Name: propane-1-sulfonate; 4-[(E)-2-pyridin-1-ium-4-ylvinyl]phenol Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO.C3H8O3S/c15-13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12;1-2-3-7(4,5)6/h1-10,15H;2-3H2,1H3,(H,4,5,6)/b2-1+;