(E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxido-1-benzotriazol-3-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-heptylphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C28H29N3O2/c1-2-3-4-5-6-9-22-12-17-24(18-13-22)25-19-14-23(15-20-25)16-21-28(32)30-26-10-7-8-11-27(26)31(33)29-30/h7-8,10-21H,2-6,9H2,1H3/b21-16+