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

Systemtic Name: 3-[3,6-bis(oxidanyl)-2-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-4-pyridin-1-ium-1-yl-phenyl]-4-oxidanylidene-chromen-2-olate Openeye Name: 3-[3,6-dihydroxy-2-(2-hydroxy-4-oxo-chromen-3-yl)-4-pyridin-1-ium-1-yl-phenyl]-4-oxo-chromen-2-olate CAS Name: 3-[3,6-dihydroxy-2-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-4-(1-pyridin-1-iumyl)phenyl]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-[3,6-dihydroxy-2-(2-hydroxy-4-oxochromen-3-yl)-4-pyridin-1-ium-1-ylphenyl]-4-oxochromen-2-olate Traditional Name: 3-[3,6-dihydroxy-2-(2-hydroxy-4-keto-chromen-3-yl)-4-pyridin-1-ium-1-yl-phenyl]-4-keto-chromen-2-olate Formula: C29H17NO8 MolecularWeight: 507.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=CC(=C(C(=C2O)C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)[O-])O

Isomeric SMILES

C1=CC=[N+](C=C1)C2=CC(=C(C(=C2O)C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)[O-])O

InChI

InChI=1S/C29H17NO8/c31-18-14-17(30-12-6-1-7-13-30)27(34)22(24-26(33)16-9-3-5-11-20(16)38-29(24)36)21(18)23-25(32)15-8-2-4-10-19(15)37-28(23)35/h1-14H,(H3-,31,32,33,34,35,36)