[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl] pentacosa-10,12-diynoate

Systemtic Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl] pentacosa-10,12-diynoate Openeye Name: [4-[2,6-bis(2-pyridyl)-4-pyridyl]phenyl] pentacosa-10,12-diynoate CAS Name: pentacosa-10,12-diynoic acid [4-[2,6-bis(2-pyridinyl)-4-pyridinyl]phenyl] ester IUPAC Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl] pentacosa-10,12-diynoate Traditional Name: pentacosa-10,12-diynoic acid [4-[2,6-bis(2-pyridyl)-4-pyridyl]phenyl] ester Formula: C46H55N3O2 MolecularWeight: 681.9478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C46H55N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-46(50)51-41-33-31-39(32-34-41)40-37-44(42-28-24-26-35-47-42)49-45(38-40)43-29-25-27-36-48-43/h24-29,31-38H,2-12,17-23,30H2,1H3