4-oxidanylidenebutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate

Systemtic Name: 4-oxidanylidenebutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Openeye Name: 4-oxobutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate CAS Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid (4-oxo-1-sulfanylidenebutyl) ester IUPAC Name: 4-oxobutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Traditional Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid 4-ketobutanethioyl ester Formula: C11H8O4S MolecularWeight: 236.24382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)O2)C(=O)OC(=S)CCC=O

Isomeric SMILES

C1=CC(=C2C(=C1)O2)C(=O)OC(=S)CCC=O

InChI

InChI=1S/C11H8O4S/c12-6-2-5-9(16)15-11(13)7-3-1-4-8-10(7)14-8/h1,3-4,6H,2,5H2