5-chloranyl-2-cyano-3-methyl-benzenesulfinic acid

Systemtic Name: 5-chloranyl-2-cyano-3-methyl-benzenesulfinic acid Openeye Name: 5-chloro-2-cyano-3-methyl-benzenesulfinic acid CAS Name: 5-chloro-2-cyano-3-methylbenzenesulfinic acid IUPAC Name: 5-chloro-2-cyano-3-methylbenzenesulfinic acid Traditional Name: 5-chloro-2-cyano-3-methyl-benzenesulfinic acid Formula: C8H6ClNO2S MolecularWeight: 215.65674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)S(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C#N)S(=O)O)Cl

InChI

InChI=1S/C8H6ClNO2S/c1-5-2-6(9)3-8(13(11)12)7(5)4-10/h2-3H,1H3,(H,11,12)