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

Systemtic Name: (2-hexyl-2-methyl-6-oxidanylidene-oxepan-3-yl) ethanoate Openeye Name: (2-hexyl-2-methyl-6-oxo-oxepan-3-yl) acetate CAS Name: acetic acid (2-hexyl-2-methyl-6-oxo-3-oxepanyl) ester IUPAC Name: (2-hexyl-2-methyl-6-oxooxepan-3-yl) acetate Traditional Name: acetic acid (2-hexyl-6-keto-2-methyl-oxepan-3-yl) ester Formula: C15H26O4 MolecularWeight: 270.36454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C15H26O4/c1-4-5-6-7-10-15(3)14(19-12(2)16)9-8-13(17)11-18-15/h14H,4-11H2,1-3H3