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

Systemtic Name: 2-[[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]methyl]anthracene-9,10-dione Openeye Name: 2-[[4-(4-pentylphenyl)triazol-1-yl]methyl]anthracene-9,10-dione CAS Name: 2-[[4-(4-pentylphenyl)-1-triazolyl]methyl]anthracene-9,10-dione IUPAC Name: 2-[[4-(4-pentylphenyl)triazol-1-yl]methyl]anthracene-9,10-dione Traditional Name: 2-[[4-(4-amylphenyl)triazol-1-yl]methyl]-9,10-anthraquinone Formula: C28H25N3O2 MolecularWeight: 435.517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H25N3O2/c1-2-3-4-7-19-10-13-21(14-11-19)26-18-31(30-29-26)17-20-12-15-24-25(16-20)28(33)23-9-6-5-8-22(23)27(24)32/h5-6,8-16,18H,2-4,7,17H2,1H3