6,8-bis(bromanyl)-3-[2-(4-chloranylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide

Systemtic Name: 6,8-bis(bromanyl)-3-[2-(4-chloranylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide Openeye Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]chromen-2-one bromide CAS Name: 6,8-dibromo-3-[2-(4-chloro-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]chromen-2-one bromide Traditional Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]coumarin bromide Formula: C16H9Br3ClNO3 MolecularWeight: 538.41256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1Cl)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br.[Br-]

Isomeric SMILES

C1=C[N+](=CC=C1Cl)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br.[Br-]

InChI

InChI=1S/C16H9Br2ClNO3.BrH/c17-10-5-9-6-12(16(22)23-15(9)13(18)7-10)14(21)8-20-3-1-11(19)2-4-20;/h1-7H,8H2;1H/q+1;/p-1