3-[(4-cyanophenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(4-cyanobenzyl)sulfonylpropionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCC(=O)O)C#N

InChI

InChI=1S/C11H11NO4S/c12-7-9-1-3-10(4-2-9)8-17(15,16)6-5-11(13)14/h1-4H,5-6,8H2,(H,13,14)