(2-methyl-6-oxidanylidene-2-pentyl-oxepan-3-yl) ethanoate

Systemtic Name: (2-methyl-6-oxidanylidene-2-pentyl-oxepan-3-yl) ethanoate Openeye Name: (2-methyl-6-oxo-2-pentyl-oxepan-3-yl) acetate CAS Name: acetic acid (2-methyl-6-oxo-2-pentyl-3-oxepanyl) ester IUPAC Name: (2-methyl-6-oxo-2-pentyloxepan-3-yl) acetate Traditional Name: acetic acid (2-amyl-6-keto-2-methyl-oxepan-3-yl) ester Formula: C14H24O4 MolecularWeight: 256.33796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C14H24O4/c1-4-5-6-9-14(3)13(18-11(2)15)8-7-12(16)10-17-14/h13H,4-10H2,1-3H3