6-bromanyl-8-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde

Systemtic Name: 6-bromanyl-8-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde Openeye Name: 6-bromo-8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxo-chromene-3-carbaldehyde CAS Name: 6-bromo-8-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-oxo-1-benzopyran-3-carboxaldehyde IUPAC Name: 6-bromo-8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde Traditional Name: 6-bromo-4-keto-8-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]chromene-3-carbaldehyde Formula: C16H10BrNO4S MolecularWeight: 392.2239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O)[O-]

InChI

InChI=1S/C16H10BrNO4S/c17-12-5-10(9-23-14-3-1-2-4-18(14)21)16-13(6-12)15(20)11(7-19)8-22-16/h1-8H,9H2