(E)-5-oxidanyl-6-phenylsulfanyl-icos-7-enoic acid

Systemtic Name: (E)-5-oxidanyl-6-phenylsulfanyl-icos-7-enoic acid Openeye Name: (E)-5-hydroxy-6-phenylsulfanyl-icos-7-enoic acid CAS Name: (E)-5-hydroxy-6-(phenylthio)-7-eicosenoic acid IUPAC Name: (E)-5-hydroxy-6-phenylsulfanylicos-7-enoic acid Traditional Name: (E)-5-hydroxy-6-(phenylthio)eicos-7-enoic acid Formula: C26H42O3S MolecularWeight: 434.67488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCCC(=O)O)O)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCCC(=O)O)O)SC1=CC=CC=C1

InChI

InChI=1S/C26H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-25(24(27)20-17-22-26(28)29)30-23-18-14-13-15-19-23/h13-16,18-19,21,24-25,27H,2-12,17,20,22H2,1H3,(H,28,29)/b21-16+