2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid CAS Name: 2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid Traditional Name: 2-[6-(diethylamino)-3-(ethylamino)-3H-xanthen-9-yl]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C=CC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCNC1C=CC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H28N2O3/c1-4-27-17-11-13-21-23(15-17)31-24-16-18(28(5-2)6-3)12-14-22(24)25(21)19-9-7-8-10-20(19)26(29)30/h7-17,27H,4-6H2,1-3H3,(H,29,30)