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

Systemtic Name: 2-[9-[(2-chlorophenyl)amino]xanthen-9-yl]-3-(diethylamino)benzoic acid Openeye Name: 2-[9-(2-chloroanilino)xanthen-9-yl]-3-(diethylamino)benzoic acid CAS Name: 2-[9-(2-chloroanilino)-9-xanthenyl]-3-(diethylamino)benzoic acid IUPAC Name: 2-[9-(2-chloroanilino)xanthen-9-yl]-3-(diethylamino)benzoic acid Traditional Name: 2-[9-(2-chloroanilino)xanthen-9-yl]-3-(diethylamino)benzoic acid Formula: C30H27ClN2O3 MolecularWeight: 498.99998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1C2(C3=CC=CC=C3OC4=CC=CC=C42)NC5=CC=CC=C5Cl)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1C2(C3=CC=CC=C3OC4=CC=CC=C42)NC5=CC=CC=C5Cl)C(=O)O

InChI

InChI=1S/C30H27ClN2O3/c1-3-33(4-2)25-17-11-12-20(29(34)35)28(25)30(32-24-16-8-7-15-23(24)31)21-13-5-9-18-26(21)36-27-19-10-6-14-22(27)30/h5-19,32H,3-4H2,1-2H3,(H,34,35)