4-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate

Systemtic Name: 4-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate Openeye Name: 4-amino-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 4-amino-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoate IUPAC Name: 4-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 4-amino-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoate Formula: C20H12NO5- MolecularWeight: 346.31298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)[O-]

InChI

InChI=1S/C20H13NO5/c21-10-1-4-13(20(24)25)16(7-10)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)/p-1