(5-cyano-2-propyl-phenyl) benzenesulfonate

Systemtic Name: (5-cyano-2-propyl-phenyl) benzenesulfonate Openeye Name: (5-cyano-2-propyl-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (5-cyano-2-propylphenyl) ester IUPAC Name: (5-cyano-2-propylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (5-cyano-2-propyl-phenyl) ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C#N)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=C(C=C1)C#N)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-2-6-14-10-9-13(12-17)11-16(14)20-21(18,19)15-7-4-3-5-8-15/h3-5,7-11H,2,6H2,1H3