3-[3,6-bis(oxidanyl)-2-pyridin-1-ium-1-yl-phenyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[3,6-bis(oxidanyl)-2-pyridin-1-ium-1-yl-phenyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-(3,6-dihydroxy-2-pyridin-1-ium-1-yl-phenyl)-2-hydroxy-chromen-4-one CAS Name: 3-[3,6-dihydroxy-2-(1-pyridin-1-iumyl)phenyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(3,6-dihydroxy-2-pyridin-1-ium-1-ylphenyl)-2-hydroxychromen-4-one Traditional Name: 3-(3,6-dihydroxy-2-pyridin-1-ium-1-yl-phenyl)-2-hydroxy-chromone Formula: C20H14NO5+ MolecularWeight: 348.32886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C=CC(=C2C3=C(OC4=CC=CC=C4C3=O)O)O)O

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C=CC(=C2C3=C(OC4=CC=CC=C4C3=O)O)O)O

InChI

InChI=1S/C20H13NO5/c22-13-8-9-14(23)18(21-10-4-1-5-11-21)16(13)17-19(24)12-6-2-3-7-15(12)26-20(17)25/h1-11H,(H2-,22,23,24,25)/p+1