2-[bis(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[bis(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[bis(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[bis(2-hydroxy-4-oxochromen-3-yl)methyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[bis(2-hydroxy-4-keto-chromen-3-yl)methyl]-4-chloro-6-nitro-phenolate Formula: C25H13ClNO9- MolecularWeight: 506.82502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H14ClNO9/c26-11-9-14(21(28)15(10-11)27(33)34)18(19-22(29)12-5-1-3-7-16(12)35-24(19)31)20-23(30)13-6-2-4-8-17(13)36-25(20)32/h1-10,18,28,31-32H/p-1