heptan-2-yl hexanoate

Systemtic Name: heptan-2-yl hexanoate Openeye Name: 1-methylhexyl hexanoate CAS Name: hexanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl hexanoate Traditional Name: hexanoic acid 1-methylhexyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(C)OC(=O)CCCCC

InChI

InChI=1S/C13H26O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h12H,4-11H2,1-3H3