2-[2,6-bis(azanyl)-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,6-bis(azanyl)-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-(2,6-diamino-9H-xanthen-9-yl)benzoic acid CAS Name: 2-(2,6-diamino-9H-xanthen-9-yl)benzoic acid IUPAC Name: 2-(2,6-diamino-9H-xanthen-9-yl)benzoic acid Traditional Name: 2-(2,6-diamino-9H-xanthen-9-yl)benzoic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC4=C2C=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC4=C2C=C(C=C4)N)C(=O)O

InChI

InChI=1S/C20H16N2O3/c21-11-6-8-17-16(9-11)19(13-3-1-2-4-14(13)20(23)24)15-7-5-12(22)10-18(15)25-17/h1-10,19H,21-22H2,(H,23,24)