4-[(E)-3-oxidanylideneprop-1-enyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-3-oxidanylideneprop-1-enyl]benzenesulfonic acid Openeye Name: 4-[(E)-3-oxoprop-1-enyl]benzenesulfonic acid CAS Name: 4-[(E)-3-oxoprop-1-enyl]benzenesulfonic acid IUPAC Name: 4-[(E)-3-oxoprop-1-enyl]benzenesulfonic acid Traditional Name: 4-[(E)-3-ketoprop-1-enyl]besylic acid Formula: C9H8O4S MolecularWeight: 212.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC=O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H8O4S/c10-7-1-2-8-3-5-9(6-4-8)14(11,12)13/h1-7H,(H,11,12,13)/b2-1+