4-[4-(cyanomethyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 4-[4-(cyanomethyl)phenyl]butane-1-sulfonic acid Openeye Name: 4-[4-(cyanomethyl)phenyl]butane-1-sulfonic acid CAS Name: 4-[4-(cyanomethyl)phenyl]-1-butanesulfonic acid IUPAC Name: 4-[4-(cyanomethyl)phenyl]butane-1-sulfonic acid Traditional Name: 4-[4-(cyanomethyl)phenyl]butane-1-sulfonic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCS(=O)(=O)O)CC#N

Isomeric SMILES

C1=CC(=CC=C1CCCCS(=O)(=O)O)CC#N

InChI

InChI=1S/C12H15NO3S/c13-9-8-12-6-4-11(5-7-12)3-1-2-10-17(14,15)16/h4-7H,1-3,8,10H2,(H,14,15,16)