butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate

Systemtic Name: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate Openeye Name: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid butyl ester IUPAC Name: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate Traditional Name: 2-keto-2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetic acid butyl ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C1=C2C(=CC=C1)O2

Isomeric SMILES

CCCCOC(=O)C(=O)C1=C2C(=CC=C1)O2

InChI

InChI=1S/C12H12O4/c1-2-3-7-15-12(14)10(13)8-5-4-6-9-11(8)16-9/h4-6H,2-3,7H2,1H3