2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3,3-bis(methylsulfonyl)prop-2-enenitrile

Systemtic Name: 2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3,3-bis(methylsulfonyl)prop-2-enenitrile Openeye Name: 2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3,3-bis(methylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,3-bis(methylsulfonyl)-2-propenenitrile IUPAC Name: 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,3-bis(methylsulfonyl)prop-2-enenitrile Traditional Name: 2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3,3-dimesyl-acrylonitrile Formula: C13H14ClNO6S3 MolecularWeight: 411.90136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(=C(S(=O)(=O)C)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(=C(S(=O)(=O)C)S(=O)(=O)C)C#N

InChI

InChI=1S/C13H14ClNO6S3/c1-8-6-11(9(2)5-10(8)14)24(20,21)12(7-15)13(22(3,16)17)23(4,18)19/h5-6H,1-4H3