2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid Openeye Name: 2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid CAS Name: 2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid Traditional Name: 2-[3,6-bis(diethylamino)-1H-xanthen-9-yl]benzoic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CCC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN(CC)C1=CCC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)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/h9-15,17-18H,5-8,16H2,1-4H3,(H,31,32)