3-[(3-cyanophenyl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(3-cyanophenyl)methylsulfonyl]benzoic acid Openeye Name: 3-[(3-cyanophenyl)methylsulfonyl]benzoic acid CAS Name: 3-[(3-cyanophenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(3-cyanophenyl)methylsulfonyl]benzoic acid Traditional Name: 3-(3-cyanobenzyl)sulfonylbenzoic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C15H11NO4S/c16-9-11-3-1-4-12(7-11)10-21(19,20)14-6-2-5-13(8-14)15(17)18/h1-8H,10H2,(H,17,18)