3,5-dimethyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrylium bromide

Systemtic Name: 3,5-dimethyl-4-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrylium bromide Openeye Name: 4-[(E)-cinnamyl]sulfanyl-3,5-dimethyl-pyrylium bromide CAS Name: 3,5-dimethyl-4-[[(E)-3-phenylprop-2-enyl]thio]pyrylium bromide IUPAC Name: 3,5-dimethyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrylium bromide Traditional Name: 4-[[(E)-cinnamyl]thio]-3,5-dimethyl-pyrylium bromide Formula: C16H17BrOS MolecularWeight: 337.27458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[O+]=CC(=C1SCC=CC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=C[O+]=CC(=C1SC/C=C/C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C16H17OS.BrH/c1-13-11-17-12-14(2)16(13)18-10-6-9-15-7-4-3-5-8-15;/h3-9,11-12H,10H2,1-2H3;1H/q+1;/p-1/b9-6+;