4-cyano-4-(phenylsulfonyl)heptanedioate

Systemtic Name: 4-cyano-4-(phenylsulfonyl)heptanedioate Openeye Name: 4-(benzenesulfonyl)-4-cyano-heptanedioate CAS Name: 4-(benzenesulfonyl)-4-cyanoheptanedioate IUPAC Name: 4-(benzenesulfonyl)-4-cyanoheptanedioate Traditional Name: 4-besyl-4-cyano-pimelate Formula: C14H13NO6S-2 MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6S/c15-10-14(8-6-12(16)17,9-7-13(18)19)22(20,21)11-4-2-1-3-5-11/h1-5H,6-9H2,(H,16,17)(H,18,19)/p-2