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

Systemtic Name: 4-[(E)-3-oxidanylidenebut-1-enyl]benzenesulfonic acid Openeye Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfonic acid CAS Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfonic acid IUPAC Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfonic acid Traditional Name: 4-[(E)-3-ketobut-1-enyl]besylic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4S/c1-8(11)2-3-9-4-6-10(7-5-9)15(12,13)14/h2-7H,1H3,(H,12,13,14)/b3-2+