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

Systemtic Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate Openeye Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate IUPAC Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate Formula: C28H31N2O3- MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C28H32N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18,27H,5-8H2,1-4H3,(H,31,32)/p-1