2-[[4-(diethoxymethyl)-1,2,3-triazol-1-yl]methyl]anthracene-9,10-dione

Systemtic Name: 2-[[4-(diethoxymethyl)-1,2,3-triazol-1-yl]methyl]anthracene-9,10-dione Openeye Name: 2-[[4-(diethoxymethyl)triazol-1-yl]methyl]anthracene-9,10-dione CAS Name: 2-[[4-(diethoxymethyl)-1-triazolyl]methyl]anthracene-9,10-dione IUPAC Name: 2-[[4-(diethoxymethyl)triazol-1-yl]methyl]anthracene-9,10-dione Traditional Name: 2-[[4-(diethoxymethyl)triazol-1-yl]methyl]-9,10-anthraquinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CN(N=N1)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC(C1=CN(N=N1)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C22H21N3O4/c1-3-28-22(29-4-2)19-13-25(24-23-19)12-14-9-10-17-18(11-14)21(27)16-8-6-5-7-15(16)20(17)26/h5-11,13,22H,3-4,12H2,1-2H3