[2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [2-[4-(4-hexylphenyl)phenyl]-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(=O)N5C6=CC=CC=C6[N+](=N5)[O-]

InChI

InChI=1S/C32H28N4O3/c1-2-3-4-5-8-22-11-13-23(14-12-22)24-15-17-25(18-16-24)31-33-27-21-26(19-20-30(27)39-31)32(37)35-28-9-6-7-10-29(28)36(38)34-35/h6-7,9-21H,2-5,8H2,1H3