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

Systemtic Name: 5-azanyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-amino-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-amino-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-amino-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C20H13NO5 MolecularWeight: 347.32092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)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)