4-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]-4-(2-cyanoethylphosphanyl)butanenitrile

Systemtic Name: 4-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]-4-(2-cyanoethylphosphanyl)butanenitrile Openeye Name: 4-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]-4-(2-cyanoethylphosphanyl)butanenitrile CAS Name: 4-(2-cyanoethylphosphino)-4-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]butanenitrile IUPAC Name: 4-(2-cyanoethylphosphanyl)-4-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]butanenitrile Traditional Name: 4-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]-4-(2-cyanoethylphosphino)butyronitrile Formula: C29H47N2OP MolecularWeight: 470.670041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(CCC#N)PCCC#N

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(CCC#N)PCCC#N

InChI

InChI=1S/C29H47N2OP/c1-7-9-11-16-28(3,4)24-21-23(26(15-13-18-30)33-20-14-19-31)22-25(27(24)32)29(5,6)17-12-10-8-2/h21-22,26,32-33H,7-17,20H2,1-6H3