5-(cyanomethylsulfonyl)-2-methyl-benzoic acid

Systemtic Name: 5-(cyanomethylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(cyanomethylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(cyanomethylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(cyanomethylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(cyanomethylsulfonyl)-2-methyl-benzoic acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC#N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC#N)C(=O)O

InChI

InChI=1S/C10H9NO4S/c1-7-2-3-8(6-9(7)10(12)13)16(14,15)5-4-11/h2-3,6H,5H2,1H3,(H,12,13)