3-(4-butanoyloxyphenyl)oxirane-2-carboxylate

Systemtic Name: 3-(4-butanoyloxyphenyl)oxirane-2-carboxylate Openeye Name: 3-(4-butanoyloxyphenyl)oxirane-2-carboxylate CAS Name: 3-[4-(1-oxobutoxy)phenyl]-2-oxiranecarboxylate IUPAC Name: 3-(4-butanoyloxyphenyl)oxirane-2-carboxylate Traditional Name: 3-(4-butyryloxyphenyl)oxirane-2-carboxylate Formula: C13H13O5- MolecularWeight: 249.23932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2C(O2)C(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2C(O2)C(=O)[O-]

InChI

InChI=1S/C13H14O5/c1-2-3-10(14)17-9-6-4-8(5-7-9)11-12(18-11)13(15)16/h4-7,11-12H,2-3H2,1H3,(H,15,16)/p-1