(E)-4-oxidanyl-5-(1-prop-2-enylimidazol-2-yl)sulfanyl-nonadec-6-enoic acid

Systemtic Name: (E)-4-oxidanyl-5-(1-prop-2-enylimidazol-2-yl)sulfanyl-nonadec-6-enoic acid Openeye Name: (E)-5-(1-allylimidazol-2-yl)sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-4-hydroxy-5-[(1-prop-2-enyl-2-imidazolyl)thio]-6-nonadecenoic acid IUPAC Name: (E)-4-hydroxy-5-(1-prop-2-enylimidazol-2-yl)sulfanylnonadec-6-enoic acid Traditional Name: (E)-5-[(1-allylimidazol-2-yl)thio]-4-hydroxy-nonadec-6-enoic acid Formula: C25H42N2O3S MolecularWeight: 450.67758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=NC=CN1CC=C

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=NC=CN1CC=C

InChI

InChI=1S/C25H42N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23(22(28)17-18-24(29)30)31-25-26-19-21-27(25)20-4-2/h4,15-16,19,21-23,28H,2-3,5-14,17-18,20H2,1H3,(H,29,30)/b16-15+