(E,2S,3S)-3-[(2S)-1-ethoxy-1-oxidanylidene-heptan-2-yl]-2-methyl-dec-4-enoic acid

Systemtic Name: (E,2S,3S)-3-[(2S)-1-ethoxy-1-oxidanylidene-heptan-2-yl]-2-methyl-dec-4-enoic acid Openeye Name: (E,2S,3S)-3-[(1S)-1-ethoxycarbonylhexyl]-2-methyl-dec-4-enoic acid CAS Name: (E,2S,3S)-3-[(2S)-1-ethoxy-1-oxoheptan-2-yl]-2-methyl-4-decenoic acid IUPAC Name: (E,2S,3S)-3-[(2S)-1-ethoxy-1-oxoheptan-2-yl]-2-methyldec-4-enoic acid Traditional Name: (E,2S,3S)-3-[(1S)-1-carbethoxyhexyl]-2-methyl-dec-4-enoic acid Formula: C20H36O4 MolecularWeight: 340.49744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/[C@@H]([C@H](C)C(=O)O)[C@H](CCCCC)C(=O)OCC

InChI

InChI=1S/C20H36O4/c1-5-8-10-11-13-14-17(16(4)19(21)22)18(15-12-9-6-2)20(23)24-7-3/h13-14,16-18H,5-12,15H2,1-4H3,(H,21,22)/b14-13+/t16-,17-,18-/m0/s1