2-[(3-cyanophenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfonyl]acetic acid CAS Name: 2-[(3-cyanophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(3-cyanobenzyl)sulfonylacetic acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)CC(=O)O)C#N

InChI

InChI=1S/C10H9NO4S/c11-5-8-2-1-3-9(4-8)6-16(14,15)7-10(12)13/h1-4H,6-7H2,(H,12,13)