1-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzo[f]chromen-3-one Formula: C19H13NO3S MolecularWeight: 335.37642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C19H13NO3S/c21-18-11-14(12-24-17-7-3-4-10-20(17)22)19-15-6-2-1-5-13(15)8-9-16(19)23-18/h1-11H,12H2