3-[[3,9,9-tris[(3-cyanophenyl)methyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3,9,9-tris[(3-cyanophenyl)methyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3,9,9-tris[(3-cyanophenyl)methyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzonitrile CAS Name: 3-[[3,9,9-tris[(3-cyanophenyl)methyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzonitrile IUPAC Name: 3-[[3,9,9-tris[(3-cyanophenyl)methyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzonitrile Traditional Name: 3-[[3,9,9-tris(3-cyanobenzyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]methyl]benzonitrile Formula: C39H32N4O4 MolecularWeight: 620.69578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(COC(O1)(CC3=CC=CC(=C3)C#N)CC4=CC=CC(=C4)C#N)COC(OC2)(CC5=CC=CC(=C5)C#N)CC6=CC=CC(=C6)C#N

Isomeric SMILES

C1C2(COC(O1)(CC3=CC=CC(=C3)C#N)CC4=CC=CC(=C4)C#N)COC(OC2)(CC5=CC=CC(=C5)C#N)CC6=CC=CC(=C6)C#N

InChI

InChI=1S/C39H32N4O4/c40-21-33-9-1-5-29(13-33)17-38(18-30-6-2-10-34(14-30)22-41)44-25-37(26-45-38)27-46-39(47-28-37,19-31-7-3-11-35(15-31)23-42)20-32-8-4-12-36(16-32)24-43/h1-16H,17-20,25-28H2