5-butanoyloxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid

Systemtic Name: 5-butanoyloxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid Openeye Name: 5-butanoyloxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid CAS Name: 5-(1-oxobutoxy)-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid IUPAC Name: 5-butanoyloxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid Traditional Name: 5-butyryloxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxylic acid Formula: C11H10O4S MolecularWeight: 238.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C2C(=C(C=C1)C(=O)O)S2

Isomeric SMILES

CCCC(=O)OC1=C2C(=C(C=C1)C(=O)O)S2

InChI

InChI=1S/C11H10O4S/c1-2-3-8(12)15-7-5-4-6(11(13)14)9-10(7)16-9/h4-5H,2-3H2,1H3,(H,13,14)