3,4,5,6-tetrakis(3,5-ditert-butyl-4-oxidanyl-phenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,4,5,6-tetrakis(3,5-ditert-butyl-4-oxidanyl-phenyl)benzene-1,2-dicarbonitrile Openeye Name: 3,4,5,6-tetrakis(3,5-ditert-butyl-4-hydroxy-phenyl)phthalonitrile CAS Name: 3,4,5,6-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,4,5,6-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3,4,5,6-tetrakis(3,5-ditert-butyl-4-hydroxy-phenyl)phthalonitrile Formula: C64H84N2O4 MolecularWeight: 945.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=C(C(=C2C#N)C#N)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=C(C(=C2C#N)C#N)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C64H84N2O4/c1-57(2,3)41-25-35(26-42(53(41)67)58(4,5)6)49-39(33-65)40(34-66)50(36-27-43(59(7,8)9)54(68)44(28-36)60(10,11)12)52(38-31-47(63(19,20)21)56(70)48(32-38)64(22,23)24)51(49)37-29-45(61(13,14)15)55(69)46(30-37)62(16,17)18/h25-32,67-70H,1-24H3