4-(4-chlorophenyl)sulfonyl-4-cyano-heptanedioate

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-4-cyano-heptanedioate Openeye Name: 4-(4-chlorophenyl)sulfonyl-4-cyano-heptanedioate CAS Name: 4-(4-chlorophenyl)sulfonyl-4-cyanoheptanedioate IUPAC Name: 4-(4-chlorophenyl)sulfonyl-4-cyanoheptanedioate Traditional Name: 4-(4-chlorophenyl)sulfonyl-4-cyano-pimelate Formula: C14H12ClNO6S-2 MolecularWeight: 357.76618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C(CCC(=O)[O-])(CCC(=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C(CCC(=O)[O-])(CCC(=O)[O-])C#N)Cl

InChI

InChI=1S/C14H14ClNO6S/c15-10-1-3-11(4-2-10)23(21,22)14(9-16,7-5-12(17)18)8-6-13(19)20/h1-4H,5-8H2,(H,17,18)(H,19,20)/p-2