4-[(3-cyanophenyl)methylsulfonyl]benzoate

Systemtic Name: 4-[(3-cyanophenyl)methylsulfonyl]benzoate Openeye Name: 4-[(3-cyanophenyl)methylsulfonyl]benzoate CAS Name: 4-[(3-cyanophenyl)methylsulfonyl]benzoate IUPAC Name: 4-[(3-cyanophenyl)methylsulfonyl]benzoate Traditional Name: 4-(3-cyanobenzyl)sulfonylbenzoate Formula: C15H10NO4S- MolecularWeight: 300.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-])C#N

InChI

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