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

Systemtic Name: (2-heptyl-2-methyl-6-oxidanylidene-oxepan-3-yl) ethanoate Openeye Name: (2-heptyl-2-methyl-6-oxo-oxepan-3-yl) acetate CAS Name: acetic acid (2-heptyl-2-methyl-6-oxo-3-oxepanyl) ester IUPAC Name: (2-heptyl-2-methyl-6-oxooxepan-3-yl) acetate Traditional Name: acetic acid (2-heptyl-6-keto-2-methyl-oxepan-3-yl) ester Formula: C16H28O4 MolecularWeight: 284.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

Isomeric SMILES

CCCCCCCC1(C(CCC(=O)CO1)OC(=O)C)C

InChI

InChI=1S/C16H28O4/c1-4-5-6-7-8-11-16(3)15(20-13(2)17)10-9-14(18)12-19-16/h15H,4-12H2,1-3H3