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

Systemtic Name: 1,3-benzoxazol-5-yl-[1-[4-(4-hexylphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]methanone Openeye Name: 1,3-benzoxazol-5-yl-[1-[4-(4-hexylphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]methanone CAS Name: 1,3-benzoxazol-5-yl-[1-[4-(4-hexylphenyl)phenyl]-3-oxido-4-benzotriazol-3-iumyl]methanone IUPAC Name: 1,3-benzoxazol-5-yl-[1-[4-(4-hexylphenyl)phenyl]-3-oxidobenzotriazol-3-ium-4-yl]methanone Traditional Name: 1,3-benzoxazol-5-yl-[1-[4-(4-hexylphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-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)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC6=C(C=C5)OC=N6

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC6=C(C=C5)OC=N6

InChI

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