4-nitro-2-[2,3,7-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]phenolate

Systemtic Name: 4-nitro-2-[2,3,7-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]phenolate Openeye Name: 4-nitro-2-(2,3,7-trihydroxy-6-oxo-xanthen-9-yl)phenolate CAS Name: 4-nitro-2-(2,3,7-trihydroxy-6-oxo-9-xanthenyl)phenolate IUPAC Name: 4-nitro-2-(2,3,7-trihydroxy-6-oxoxanthen-9-yl)phenolate Traditional Name: 4-nitro-2-(2,3,7-trihydroxy-6-keto-xanthen-9-yl)phenolate Formula: C19H10NO8- MolecularWeight: 380.2846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)[O-]

InChI

InChI=1S/C19H11NO8/c21-12-2-1-8(20(26)27)3-9(12)19-10-4-13(22)15(24)6-17(10)28-18-7-16(25)14(23)5-11(18)19/h1-7,21-24H/p-1