(E)-5-(1-methylimidazol-4-yl)sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-(1-methylimidazol-4-yl)sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-4-hydroxy-5-(1-methylimidazol-4-yl)sulfanyl-nonadec-6-enoic acid CAS Name: (E)-4-hydroxy-5-[(1-methyl-4-imidazolyl)thio]-6-nonadecenoic acid IUPAC Name: (E)-4-hydroxy-5-(1-methylimidazol-4-yl)sulfanylnonadec-6-enoic acid Traditional Name: (E)-4-hydroxy-5-[(1-methylimidazol-4-yl)thio]nonadec-6-enoic acid Formula: C23H40N2O3S MolecularWeight: 424.6403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=CN(C=N1)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=CN(C=N1)C

InChI

InChI=1S/C23H40N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(20(26)16-17-23(27)28)29-22-18-25(2)19-24-22/h14-15,18-21,26H,3-13,16-17H2,1-2H3,(H,27,28)/b15-14+