(E)-6-(cyclohexylmethylsulfanyl)-5-oxidanyl-nonadec-7-enoic acid

Systemtic Name: (E)-6-(cyclohexylmethylsulfanyl)-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-6-(cyclohexylmethylsulfanyl)-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-6-(cyclohexylmethylthio)-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-6-(cyclohexylmethylsulfanyl)-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-6-(cyclohexylmethylthio)-5-hydroxy-nonadec-7-enoic acid Formula: C26H48O3S MolecularWeight: 440.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(CCCC(=O)O)O)SCC1CCCCC1

Isomeric SMILES

CCCCCCCCCCC/C=C/C(C(CCCC(=O)O)O)SCC1CCCCC1

InChI

InChI=1S/C26H48O3S/c1-2-3-4-5-6-7-8-9-10-11-15-20-25(24(27)19-16-21-26(28)29)30-22-23-17-13-12-14-18-23/h15,20,23-25,27H,2-14,16-19,21-22H2,1H3,(H,28,29)/b20-15+