3-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 3-amino-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 3-amino-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 3-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 3-amino-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C20H13NO5 MolecularWeight: 347.32092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)N)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

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