3-[2-(4-methylpyridin-1-ium-1-yl)-3,6-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-2-olate

Systemtic Name: 3-[2-(4-methylpyridin-1-ium-1-yl)-3,6-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-2-olate Openeye Name: 3-[3,6-dihydroxy-2-(4-methylpyridin-1-ium-1-yl)phenyl]-4-oxo-chromen-2-olate CAS Name: 3-[3,6-dihydroxy-2-(4-methyl-1-pyridin-1-iumyl)phenyl]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-[3,6-dihydroxy-2-(4-methylpyridin-1-ium-1-yl)phenyl]-4-oxochromen-2-olate Traditional Name: 3-[3,6-dihydroxy-2-(4-methylpyridin-1-ium-1-yl)phenyl]-4-keto-chromen-2-olate Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C=CC(=C2C3=C(OC4=CC=CC=C4C3=O)[O-])O)O

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C=CC(=C2C3=C(OC4=CC=CC=C4C3=O)[O-])O)O

InChI

InChI=1S/C21H15NO5/c1-12-8-10-22(11-9-12)19-15(24)7-6-14(23)17(19)18-20(25)13-4-2-3-5-16(13)27-21(18)26/h2-11H,1H3,(H2-,23,24,25,26)