3-(cyanomethylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(cyanomethylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(cyanomethylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(cyanomethylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(cyanomethylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(cyanomethylsulfonyl)-4-ethyl-benzoic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#N

InChI

InChI=1S/C11H11NO4S/c1-2-8-3-4-9(11(13)14)7-10(8)17(15,16)6-5-12/h3-4,7H,2,6H2,1H3,(H,13,14)