(2S)-2-ethoxycarbonyl-3-propyl-hexanoate

Systemtic Name: (2S)-2-ethoxycarbonyl-3-propyl-hexanoate Openeye Name: (2S)-2-ethoxycarbonyl-3-propyl-hexanoate CAS Name: (2S)-2-ethoxycarbonyl-3-propylhexanoate IUPAC Name: (2S)-2-ethoxycarbonyl-3-propylhexanoate Traditional Name: (2S)-2-carbethoxy-3-propyl-hexanoate Formula: C12H21O4- MolecularWeight: 229.29274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(C(=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC(CCC)[C@@H](C(=O)[O-])C(=O)OCC

InChI

InChI=1S/C12H22O4/c1-4-7-9(8-5-2)10(11(13)14)12(15)16-6-3/h9-10H,4-8H2,1-3H3,(H,13,14)/p-1/t10-/m0/s1