2-[2,7-bis(chloranyl)-5-nitro-3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,7-bis(chloranyl)-5-nitro-3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoic acid Openeye Name: 2-(2,7-dichloro-3-hydroxy-5-nitro-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid CAS Name: 2-(2,7-dichloro-3-hydroxy-5-nitro-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid IUPAC Name: 2-(2,7-dichloro-3-hydroxy-5-nitro-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid Traditional Name: 2-(2,7-dichloro-3-hydroxy-6-keto-5-nitro-8a,9-dihydroxanthen-9-yl)benzoic acid Formula: C20H11Cl2NO7 MolecularWeight: 448.20984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3C=C(C(=O)C(=C3OC4=CC(=C(C=C24)Cl)O)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C3C=C(C(=O)C(=C3OC4=CC(=C(C=C24)Cl)O)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C20H11Cl2NO7/c21-12-5-10-15(7-14(12)24)30-19-11(6-13(22)18(25)17(19)23(28)29)16(10)8-3-1-2-4-9(8)20(26)27/h1-7,11,16,24H,(H,26,27)