4,5-bis(octylsulfonyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(octylsulfonyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(octylsulfonyl)phthalonitrile CAS Name: 4,5-bis(octylsulfonyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(octylsulfonyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(octylsulfonyl)phthalonitrile Formula: C24H36N2O4S2 MolecularWeight: 480.68364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C=C(C(=C1)C#N)C#N)S(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C=C(C(=C1)C#N)C#N)S(=O)(=O)CCCCCCCC

InChI

InChI=1S/C24H36N2O4S2/c1-3-5-7-9-11-13-15-31(27,28)23-17-21(19-25)22(20-26)18-24(23)32(29,30)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3