(E)-6-phenylsulfanylicos-7-ene-1,5-diol

Systemtic Name: (E)-6-phenylsulfanylicos-7-ene-1,5-diol Openeye Name: (E)-6-phenylsulfanylicos-7-ene-1,5-diol CAS Name: (E)-6-(phenylthio)-7-eicosene-1,5-diol IUPAC Name: (E)-6-phenylsulfanylicos-7-ene-1,5-diol Traditional Name: (E)-6-(phenylthio)eicos-7-ene-1,5-diol Formula: C26H44O2S MolecularWeight: 420.69136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-26(25(28)21-17-18-23-27)29-24-19-14-13-15-20-24/h13-16,19-20,22,25-28H,2-12,17-18,21,23H2,1H3/b22-16+