4-chloranyl-3-(cyanomethylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(cyanomethylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-(cyanomethylsulfonyl)benzoic acid CAS Name: 4-chloro-3-(cyanomethylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(cyanomethylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(cyanomethylsulfonyl)benzoic acid Formula: C9H6ClNO4S MolecularWeight: 259.66624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC#N)Cl

InChI

InChI=1S/C9H6ClNO4S/c10-7-2-1-6(9(12)13)5-8(7)16(14,15)4-3-11/h1-2,5H,4H2,(H,12,13)