3-[2,6-bis(methylsulfonyl)phenyl]pentanedinitrile

Systemtic Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanedinitrile Openeye Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanedinitrile CAS Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanedinitrile IUPAC Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanedinitrile Traditional Name: 3-(2,6-dimesylphenyl)glutaronitrile Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CC#N)CC#N

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CC#N)CC#N

InChI

InChI=1S/C13H14N2O4S2/c1-20(16,17)11-4-3-5-12(21(2,18)19)13(11)10(6-8-14)7-9-15/h3-5,10H,6-7H2,1-2H3