3-(3,4-dicyanophenyl)sulfonylpropane-1-sulfonic acid

Systemtic Name: 3-(3,4-dicyanophenyl)sulfonylpropane-1-sulfonic acid Openeye Name: 3-(3,4-dicyanophenyl)sulfonylpropane-1-sulfonic acid CAS Name: 3-(3,4-dicyanophenyl)sulfonyl-1-propanesulfonic acid IUPAC Name: 3-(3,4-dicyanophenyl)sulfonylpropane-1-sulfonic acid Traditional Name: 3-(3,4-dicyanophenyl)sulfonylpropane-1-sulfonic acid Formula: C11H10N2O5S2 MolecularWeight: 314.3375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCCS(=O)(=O)O)C#N)C#N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCCS(=O)(=O)O)C#N)C#N

InChI

InChI=1S/C11H10N2O5S2/c12-7-9-2-3-11(6-10(9)8-13)19(14,15)4-1-5-20(16,17)18/h2-3,6H,1,4-5H2,(H,16,17,18)