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

Systemtic Name: 5-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]thiophene-2-sulfonic acid Openeye Name: 5-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]thiophene-2-sulfonic acid CAS Name: 5-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-2-thiophenesulfonic acid IUPAC Name: 5-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]thiophene-2-sulfonic acid Traditional Name: 5-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]thiophene-2-sulfonic acid Formula: C13H9NO6S2 MolecularWeight: 339.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC=C(S2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC=C(S2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO6S2/c15-12(9-1-3-10(4-2-9)14(16)17)7-5-11-6-8-13(21-11)22(18,19)20/h1-8H,(H,18,19,20)/b7-5+