2-[3-[(2-chlorophenyl)amino]-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-[(2-chlorophenyl)amino]-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(2-chloroanilino)-9H-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(2-chloroanilino)-9H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[3-(2-chloroanilino)-9H-xanthen-9-yl]benzoic acid Traditional Name: 2-[3-(2-chloroanilino)-9H-xanthen-9-yl]benzoic acid Formula: C26H18ClNO3 MolecularWeight: 427.87902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)NC4=CC=CC=C4Cl)OC5=CC=CC=C25)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)NC4=CC=CC=C4Cl)OC5=CC=CC=C25)C(=O)O

InChI

InChI=1S/C26H18ClNO3/c27-21-10-4-5-11-22(21)28-16-13-14-20-24(15-16)31-23-12-6-3-9-19(23)25(20)17-7-1-2-8-18(17)26(29)30/h1-15,25,28H,(H,29,30)