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

Systemtic Name: 2-[1-azanylidene-3-ethyl-6-(ethylamino)-2,3-dihydroxanthen-9-yl]benzoic acid Openeye Name: 2-[3-ethyl-6-(ethylamino)-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid CAS Name: 2-[3-ethyl-6-(ethylamino)-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid IUPAC Name: 2-[3-ethyl-6-(ethylamino)-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid Traditional Name: 2-[3-ethyl-6-(ethylamino)-1-imino-2,3-dihydroxanthen-9-yl]benzoic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-3-14-11-19(25)23-21(12-14)29-20-13-15(26-4-2)9-10-18(20)22(23)16-7-5-6-8-17(16)24(27)28/h5-10,12-14,25-26H,3-4,11H2,1-2H3,(H,27,28)