4,5-bis(azanyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4,5-bis(azanyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4,5-diamino-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4,5-diamino-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4,5-diamino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 4,5-diamino-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)N)N

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)N)N

InChI

InChI=1S/C20H14N2O5/c21-15-7-13(14(20(25)26)8-16(15)22)19-11-3-1-9(23)5-17(11)27-18-6-10(24)2-4-12(18)19/h1-8,23H,21-22H2,(H,25,26)