(E)-6-(4-chlorophenyl)sulfanylicos-7-ene-1,5-diol

Systemtic Name: (E)-6-(4-chlorophenyl)sulfanylicos-7-ene-1,5-diol Openeye Name: (E)-6-(4-chlorophenyl)sulfanylicos-7-ene-1,5-diol CAS Name: (E)-6-[(4-chlorophenyl)thio]-7-eicosene-1,5-diol IUPAC Name: (E)-6-(4-chlorophenyl)sulfanylicos-7-ene-1,5-diol Traditional Name: (E)-6-[(4-chlorophenyl)thio]eicos-7-ene-1,5-diol Formula: C26H43ClO2S MolecularWeight: 455.13642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26(25(29)16-14-15-22-28)30-24-20-18-23(27)19-21-24/h13,17-21,25-26,28-29H,2-12,14-16,22H2,1H3/b17-13+