2,3-bis(3-phenoxyphenyl)pent-4-ynenitrile

Systemtic Name: 2,3-bis(3-phenoxyphenyl)pent-4-ynenitrile Openeye Name: 2,3-bis(3-phenoxyphenyl)pent-4-ynenitrile CAS Name: 2,3-bis(3-phenoxyphenyl)-4-pentynenitrile IUPAC Name: 2,3-bis(3-phenoxyphenyl)pent-4-ynenitrile Traditional Name: 2,3-bis(3-phenoxyphenyl)pent-4-ynenitrile Formula: C29H21NO2 MolecularWeight: 415.48254

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C#CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H21NO2/c1-2-28(22-11-9-17-26(19-22)31-24-13-5-3-6-14-24)29(21-30)23-12-10-18-27(20-23)32-25-15-7-4-8-16-25/h1,3-20,28-29H