2-[1-azanylidene-6-(diethylamino)-3-ethyl-2,3-dihydroxanthen-9-yl]benzoic acid

Systemtic Name: 2-[1-azanylidene-6-(diethylamino)-3-ethyl-2,3-dihydroxanthen-9-yl]benzoic acid Openeye Name: 2-[6-(diethylamino)-3-ethyl-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid CAS Name: 2-[6-(diethylamino)-3-ethyl-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid IUPAC Name: 2-[6-(diethylamino)-3-ethyl-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid Traditional Name: 2-[6-(diethylamino)-3-ethyl-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=N)C2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC1CC(=N)C2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

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