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

Systemtic Name: 5-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]thiophene-2-sulfonic acid Openeye Name: 5-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]thiophene-2-sulfonic acid CAS Name: 5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-thiophenesulfonic acid IUPAC Name: 5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]thiophene-2-sulfonic acid Traditional Name: 5-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]thiophene-2-sulfonic acid Formula: C13H9ClO4S2 MolecularWeight: 328.79116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC=C(S2)S(=O)(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClO4S2/c14-10-3-1-9(2-4-10)12(15)7-5-11-6-8-13(19-11)20(16,17)18/h1-8H,(H,16,17,18)/b7-5+