(E)-4-oxidanyl-5-(1,4,5-trimethylimidazol-2-yl)sulfanyl-nonadec-6-enoic acid

Systemtic Name: (E)-4-oxidanyl-5-(1,4,5-trimethylimidazol-2-yl)sulfanyl-nonadec-6-enoic acid Openeye Name: (E)-4-hydroxy-5-(1,4,5-trimethylimidazol-2-yl)sulfanyl-nonadec-6-enoic acid CAS Name: (E)-4-hydroxy-5-[(1,4,5-trimethyl-2-imidazolyl)thio]-6-nonadecenoic acid IUPAC Name: (E)-4-hydroxy-5-(1,4,5-trimethylimidazol-2-yl)sulfanylnonadec-6-enoic acid Traditional Name: (E)-4-hydroxy-5-[(1,4,5-trimethylimidazol-2-yl)thio]nonadec-6-enoic acid Formula: C25H44N2O3S MolecularWeight: 452.69346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=NC(=C(N1C)C)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=NC(=C(N1C)C)C

InChI

InChI=1S/C25H44N2O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(22(28)18-19-24(29)30)31-25-26-20(2)21(3)27(25)4/h16-17,22-23,28H,5-15,18-19H2,1-4H3,(H,29,30)/b17-16+