2-[3-azanylidene-6-(dimethylamino)-1,2-diethyl-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-azanylidene-6-(dimethylamino)-1,2-diethyl-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-(dimethylamino)-1,2-diethyl-3-imino-xanthen-9-yl]benzoic acid CAS Name: 2-[6-(dimethylamino)-1,2-diethyl-3-imino-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-(dimethylamino)-1,2-diethyl-3-iminoxanthen-9-yl]benzoic acid Traditional Name: 2-[6-(dimethylamino)-1,2-diethyl-3-imino-xanthen-9-yl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C=C(C=C3)N(C)C)OC2=CC1=N)C4=CC=CC=C4C(=O)O)CC

Isomeric SMILES

CCC1=C(C2=C(C3=C(C=C(C=C3)N(C)C)OC2=CC1=N)C4=CC=CC=C4C(=O)O)CC

InChI

InChI=1S/C26H26N2O3/c1-5-16-17(6-2)25-23(14-21(16)27)31-22-13-15(28(3)4)11-12-20(22)24(25)18-9-7-8-10-19(18)26(29)30/h7-14,27H,5-6H2,1-4H3,(H,29,30)