4-[5-tert-butyl-2-methyl-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-tert-butyl-2-methyl-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]benzenecarbonitrile Openeye Name: 4-(5-tert-butyl-2-methyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)benzonitrile CAS Name: 4-(5-tert-butyl-2-methyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)benzonitrile IUPAC Name: 4-(5-tert-butyl-2-methyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)benzonitrile Traditional Name: 4-(5-tert-butyl-1,1,3,3-tetraketo-2-methyl-1,3-dithian-2-yl)benzonitrile Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(S(=O)(=O)CC(CS1(=O)=O)C(C)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(S(=O)(=O)CC(CS1(=O)=O)C(C)(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21NO4S2/c1-15(2,3)14-10-22(18,19)16(4,23(20,21)11-14)13-7-5-12(9-17)6-8-13/h5-8,14H,10-11H2,1-4H3