heptan-2-yl ethanoate

Systemtic Name: heptan-2-yl ethanoate Openeye Name: 1-methylhexyl acetate CAS Name: acetic acid heptan-2-yl ester IUPAC Name: heptan-2-yl acetate Traditional Name: acetic acid 1-methylhexyl ester Formula: C9H18O2 MolecularWeight: 158.23802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C

Isomeric SMILES

CCCCCC(C)OC(=O)C

InChI

InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3