(E)-5-[4-(carboxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[4-(carboxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[4-(carboxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[[4-(carboxymethyl)-1-methyl-2-imidazolyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[4-(carboxymethyl)-1-methylimidazol-2-yl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[[4-(carboxymethyl)-1-methyl-imidazol-2-yl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C25H42N2O5S MolecularWeight: 482.67638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=NC(=CN1C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=NC(=CN1C)CC(=O)O

InChI

InChI=1S/C25H42N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(21(28)16-17-23(29)30)33-25-26-20(18-24(31)32)19-27(25)2/h14-15,19,21-22,28H,3-13,16-18H2,1-2H3,(H,29,30)(H,31,32)/b15-14+