3-[(4-cyanophenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoate Openeye Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoate CAS Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(4-cyanophenyl)methylsulfonyl]propanoate Traditional Name: 3-(4-cyanobenzyl)sulfonylpropionate Formula: C11H10NO4S- MolecularWeight: 252.2664

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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)/p-1