2-[4,5-bis(azanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: 2-[4,5-bis(azanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoate Openeye Name: 2-(4,5-diamino-3,6-dihydroxy-9H-xanthen-9-yl)benzoate CAS Name: 2-(4,5-diamino-3,6-dihydroxy-9H-xanthen-9-yl)benzoate IUPAC Name: 2-(4,5-diamino-3,6-dihydroxy-9H-xanthen-9-yl)benzoate Traditional Name: 2-(4,5-diamino-3,6-dihydroxy-9H-xanthen-9-yl)benzoate Formula: C20H15N2O5- MolecularWeight: 363.3435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)N)OC4=C2C=CC(=C4N)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)N)OC4=C2C=CC(=C4N)O)C(=O)[O-]

InChI

InChI=1S/C20H16N2O5/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16/h1-8,15,23-24H,21-22H2,(H,25,26)/p-1