5-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]thiophene-2-sulfonic acid

Systemtic Name: 5-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]thiophene-2-sulfonic acid Openeye Name: 5-[(E)-3-(4-cyanophenyl)-3-oxo-prop-1-enyl]thiophene-2-sulfonic acid CAS Name: 5-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]-2-thiophenesulfonic acid IUPAC Name: 5-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]thiophene-2-sulfonic acid Traditional Name: 5-[(E)-3-(4-cyanophenyl)-3-keto-prop-1-enyl]thiophene-2-sulfonic acid Formula: C14H9NO4S2 MolecularWeight: 319.35556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C=CC2=CC=C(S2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)/C=C/C2=CC=C(S2)S(=O)(=O)O

InChI

InChI=1S/C14H9NO4S2/c15-9-10-1-3-11(4-2-10)13(16)7-5-12-6-8-14(20-12)21(17,18)19/h1-8H,(H,17,18,19)/b7-5+