5-(hydroxymethyl)-2-methylsulfonyl-benzenecarbonitrile

Systemtic Name: 5-(hydroxymethyl)-2-methylsulfonyl-benzenecarbonitrile Openeye Name: 5-(hydroxymethyl)-2-methylsulfonyl-benzonitrile CAS Name: 5-(hydroxymethyl)-2-methylsulfonylbenzonitrile IUPAC Name: 5-(hydroxymethyl)-2-methylsulfonylbenzonitrile Traditional Name: 2-mesyl-5-methylol-benzonitrile Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)CO)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)CO)C#N

InChI

InChI=1S/C9H9NO3S/c1-14(12,13)9-3-2-7(6-11)4-8(9)5-10/h2-4,11H,6H2,1H3