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

Systemtic Name: 3-[2-isoquinolin-2-ium-2-yl-3,6-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-2-olate Openeye Name: 3-(3,6-dihydroxy-2-isoquinolin-2-ium-2-yl-phenyl)-4-oxo-chromen-2-olate CAS Name: 3-[3,6-dihydroxy-2-(2-isoquinolin-2-iumyl)phenyl]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-(3,6-dihydroxy-2-isoquinolin-2-ium-2-ylphenyl)-4-oxochromen-2-olate Traditional Name: 3-(3,6-dihydroxy-2-isoquinolin-2-ium-2-yl-phenyl)-4-keto-chromen-2-olate Formula: C24H15NO5 MolecularWeight: 397.3796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=CC(=C3C4=C(OC5=CC=CC=C5C4=O)[O-])O)O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=CC(=C3C4=C(OC5=CC=CC=C5C4=O)[O-])O)O

InChI

InChI=1S/C24H15NO5/c26-17-9-10-18(27)22(25-12-11-14-5-1-2-6-15(14)13-25)20(17)21-23(28)16-7-3-4-8-19(16)30-24(21)29/h1-13H,(H2-,26,27,28,29)