4-cyano-4-phenyl-butane-1-sulfonic acid

Systemtic Name: 4-cyano-4-phenyl-butane-1-sulfonic acid Openeye Name: 4-cyano-4-phenyl-butane-1-sulfonic acid CAS Name: 4-cyano-4-phenyl-1-butanesulfonic acid IUPAC Name: 4-cyano-4-phenylbutane-1-sulfonic acid Traditional Name: 4-cyano-4-phenyl-butane-1-sulfonic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCS(=O)(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCS(=O)(=O)O)C#N

InChI

InChI=1S/C11H13NO3S/c12-9-11(7-4-8-16(13,14)15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-8H2,(H,13,14,15)