(E)-2-cyano-3-ethyl-6-sulfanylidene-nonadec-2-enoic acid

Systemtic Name: (E)-2-cyano-3-ethyl-6-sulfanylidene-nonadec-2-enoic acid Openeye Name: (E)-2-cyano-3-ethyl-6-thioxo-nonadec-2-enoic acid CAS Name: (E)-2-cyano-3-ethyl-6-sulfanylidene-2-nonadecenoic acid IUPAC Name: (E)-2-cyano-3-ethyl-6-sulfanylidenenonadec-2-enoic acid Traditional Name: (E)-2-cyano-3-ethyl-6-thioxo-nonadec-2-enoic acid Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=S)CCC(=C(C#N)C(=O)O)CC

Isomeric SMILES

CCCCCCCCCCCCCC(=S)CC/C(=C(\C#N)/C(=O)O)/CC

InChI

InChI=1S/C22H37NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(26)17-16-19(4-2)21(18-23)22(24)25/h3-17H2,1-2H3,(H,24,25)/b21-19+