(E)-5-[5-(2-carboxyethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[5-(2-carboxyethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[5-(2-carboxyethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[[5-(2-carboxyethyl)-1,4-dimethyl-2-imidazolyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[5-(2-carboxyethyl)-1,4-dimethylimidazol-2-yl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[[5-(2-carboxyethyl)-1,4-dimethyl-imidazol-2-yl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C27H46N2O5S MolecularWeight: 510.72954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24(23(30)18-20-26(33)34)35-27-28-21(2)22(29(27)3)17-19-25(31)32/h15-16,23-24,30H,4-14,17-20H2,1-3H3,(H,31,32)(H,33,34)/b16-15+