3-(3-methylsulfonylphenoxy)pentanenitrile

Systemtic Name: 3-(3-methylsulfonylphenoxy)pentanenitrile Openeye Name: 3-(3-methylsulfonylphenoxy)pentanenitrile CAS Name: 3-(3-methylsulfonylphenoxy)pentanenitrile IUPAC Name: 3-(3-methylsulfonylphenoxy)pentanenitrile Traditional Name: 3-(3-mesylphenoxy)valeronitrile Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)OC1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCC(CC#N)OC1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C12H15NO3S/c1-3-10(7-8-13)16-11-5-4-6-12(9-11)17(2,14)15/h4-6,9-10H,3,7H2,1-2H3