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

Systemtic Name: 6,8-bis(bromanyl)-3-[2-(4-chloranylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one Openeye Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]chromen-2-one CAS Name: 6,8-dibromo-3-[2-(4-chloro-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]chromen-2-one Traditional Name: 6,8-dibromo-3-[2-(4-chloropyridin-1-ium-1-yl)acetyl]coumarin Formula: C16H9Br2ClNO3+ MolecularWeight: 458.50856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Br2ClNO3/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/q+1