ethyl (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoate

Systemtic Name: ethyl (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoate Openeye Name: ethyl (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoate CAS Name: (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoate Traditional Name: (E,2S,3S)-3-butyl-2-ethyl-hex-4-enoic acid ethyl ester Formula: C14H26O2 MolecularWeight: 226.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CC)C(CC)C(=O)OCC

Isomeric SMILES

CCCC[C@@H](/C=C/C)[C@H](CC)C(=O)OCC

InChI

InChI=1S/C14H26O2/c1-5-9-11-12(10-6-2)13(7-3)14(15)16-8-4/h6,10,12-13H,5,7-9,11H2,1-4H3/b10-6+/t12-,13+/m1/s1