(E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxido-1-benzotriazol-3-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-hex-5-enoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

C=CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C27H25N3O3/c1-2-3-4-7-20-33-24-17-15-23(16-18-24)22-13-10-21(11-14-22)12-19-27(31)29-25-8-5-6-9-26(25)30(32)28-29/h2,5-6,8-19H,1,3-4,7,20H2/b19-12+