methyl 3-dodeca-1,3-diynyl-4-[[ethyl(phenyl)amino]diazenyl]benzoate

Systemtic Name: methyl 3-dodeca-1,3-diynyl-4-[[ethyl(phenyl)amino]diazenyl]benzoate Openeye Name: methyl 3-dodeca-1,3-diynyl-4-(N-ethylanilino)azo-benzoate CAS Name: 3-dodeca-1,3-diynyl-4-(N-ethylanilino)azobenzoic acid methyl ester IUPAC Name: methyl 3-dodeca-1,3-diynyl-4-[(N-ethylanilino)diazenyl]benzoate Traditional Name: 3-dodeca-1,3-diynyl-4-(N-ethylanilino)azo-benzoic acid methyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC#CC1=C(C=CC(=C1)C(=O)OC)N=NN(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC#CC#CC1=C(C=CC(=C1)C(=O)OC)N=NN(CC)C2=CC=CC=C2

InChI

InChI=1S/C28H33N3O2/c1-4-6-7-8-9-10-11-12-13-15-18-24-23-25(28(32)33-3)21-22-27(24)29-30-31(5-2)26-19-16-14-17-20-26/h14,16-17,19-23H,4-11H2,1-3H3