2-[3-[(2-chlorophenyl)amino]-3,6-bis(diethylamino)xanthen-9-yl]benzoate

Systemtic Name: 2-[3-[(2-chlorophenyl)amino]-3,6-bis(diethylamino)xanthen-9-yl]benzoate Openeye Name: 2-[3-(2-chloroanilino)-3,6-bis(diethylamino)xanthen-9-yl]benzoate CAS Name: 2-[3-(2-chloroanilino)-3,6-bis(diethylamino)-9-xanthenyl]benzoate IUPAC Name: 2-[3-(2-chloroanilino)-3,6-bis(diethylamino)xanthen-9-yl]benzoate Traditional Name: 2-[3-(2-chloroanilino)-3,6-bis(diethylamino)xanthen-9-yl]benzoate Formula: C34H35ClN3O3- MolecularWeight: 569.113

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(C=C3O2)(NC4=CC=CC=C4Cl)N(CC)CC)C5=CC=CC=C5C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(C=C3O2)(NC4=CC=CC=C4Cl)N(CC)CC)C5=CC=CC=C5C(=O)[O-]

InChI

InChI=1S/C34H36ClN3O3/c1-5-37(6-2)23-17-18-26-30(21-23)41-31-22-34(38(7-3)8-4,36-29-16-12-11-15-28(29)35)20-19-27(31)32(26)24-13-9-10-14-25(24)33(39)40/h9-22,36H,5-8H2,1-4H3,(H,39,40)/p-1