(7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) ethanoate

Systemtic Name: (7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) ethanoate Openeye Name: (7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) acetate CAS Name: acetic acid (7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) ester IUPAC Name: (7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) acetate Traditional Name: acetic acid (7-butyl-2,3,6,7-tetrahydrooxepin-2-yl) ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC=CCC(O1)OC(=O)C

Isomeric SMILES

CCCCC1CC=CCC(O1)OC(=O)C

InChI

InChI=1S/C12H20O3/c1-3-4-7-11-8-5-6-9-12(15-11)14-10(2)13/h5-6,11-12H,3-4,7-9H2,1-2H3