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

Systemtic Name: 2-[(3-cyanophenyl)methylsulfonyl]benzoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfonyl]benzoic acid CAS Name: 2-[(3-cyanophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfonyl]benzoic acid Traditional Name: 2-(3-cyanobenzyl)sulfonylbenzoic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N

InChI

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