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4-[4-(cyanomethyl)phenyl]butane-1-sulfonate

4-[4-(cyanomethyl)phenyl]butane-1-sulfonate

Systemtic Name:4-[4-(cyanomethyl)phenyl]butane-1-sulfonate
Openeye Name:4-[4-(cyanomethyl)phenyl]butane-1-sulfonate
CAS Name:4-[4-(cyanomethyl)phenyl]-1-butanesulfonate
IUPAC Name:4-[4-(cyanomethyl)phenyl]butane-1-sulfonate
Traditional Name:4-[4-(cyanomethyl)phenyl]butane-1-sulfonate
Formula: C12H14NO3S-
MolecularWeight: 252.30946
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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)/p-1


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