4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphanyloxy-6-methyl-phenyl]-3-methyl-phenoxy]phosphanyloxybenzenecarbonitrile

Systemtic Name: 4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphanyloxy-6-methyl-phenyl]-3-methyl-phenoxy]phosphanyloxybenzenecarbonitrile Openeye Name: 4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphanyloxy-6-methyl-phenyl]-3-methyl-phenoxy]phosphanyloxybenzonitrile CAS Name: 4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphinooxy-6-methylphenyl]-3-methylphenoxy]phosphinooxybenzonitrile IUPAC Name: 4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphanyloxy-6-methylphenyl]-3-methylphenoxy]phosphanyloxybenzonitrile Traditional Name: 4-[4,6-ditert-butyl-2-[3,5-ditert-butyl-2-(4-isocyanophenoxy)phosphinooxy-6-methyl-phenyl]-3-methyl-phenoxy]phosphinooxybenzonitrile Formula: C44H54N2O4P2 MolecularWeight: 736.858082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)OPOC2=CC=C(C=C2)C#N)C3=C(C(=CC(=C3OPOC4=CC=C(C=C4)[N+]#[C-])C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)OPOC2=CC=C(C=C2)C#N)C3=C(C(=CC(=C3OPOC4=CC=C(C=C4)[N+]#[C-])C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C44H54N2O4P2/c1-27-33(41(3,4)5)24-35(43(9,10)11)39(49-51-47-31-20-16-29(26-45)17-21-31)37(27)38-28(2)34(42(6,7)8)25-36(44(12,13)14)40(38)50-52-48-32-22-18-30(46-15)19-23-32/h16-25,51-52H,1-14H3