2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methyldiazenyl)hexyl]tridec-12-enenitrile

Systemtic Name: 2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methyldiazenyl)hexyl]tridec-12-enenitrile Openeye Name: 2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-methylazo-hexyl]tridec-12-enenitrile CAS Name: 2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-methylazohexyl]-12-tridecenenitrile IUPAC Name: 2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methyldiazenyl)hexyl]tridec-12-enenitrile Traditional Name: 2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-methylazo-hexyl]tridec-12-enenitrile Formula: C34H49N3O2 MolecularWeight: 531.77176

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Descriptors Computed from Structure

Canonical SMILES:

CN=NC(CCCC(CCCCCCCCCC=C)(C#N)C1=CC(=CC=C1)OC)CCC2=CC(=CC=C2)OC

Isomeric SMILES

CN=NC(CCCC(CCCCCCCCCC=C)(C#N)C1=CC(=CC=C1)OC)CCC2=CC(=CC=C2)OC

InChI

InChI=1S/C34H49N3O2/c1-5-6-7-8-9-10-11-12-13-24-34(28-35,30-18-15-21-33(27-30)39-4)25-16-19-31(37-36-2)23-22-29-17-14-20-32(26-29)38-3/h5,14-15,17-18,20-21,26-27,31H,1,6-13,16,19,22-25H2,2-4H3