2-[(E)-3-cyanoprop-1-enyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-3-cyanoprop-1-enyl]benzenesulfonic acid Openeye Name: 2-[(E)-3-cyanoprop-1-enyl]benzenesulfonic acid CAS Name: 2-[(E)-3-cyanoprop-1-enyl]benzenesulfonic acid IUPAC Name: 2-[(E)-3-cyanoprop-1-enyl]benzenesulfonic acid Traditional Name: 2-[(E)-3-cyanoprop-1-enyl]besylic acid Formula: C10H9NO3S MolecularWeight: 223.24836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CCC#N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/CC#N)S(=O)(=O)O

InChI

InChI=1S/C10H9NO3S/c11-8-4-3-6-9-5-1-2-7-10(9)15(12,13)14/h1-3,5-7H,4H2,(H,12,13,14)/b6-3+