3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol

Systemtic Name: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol Openeye Name: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol CAS Name: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol IUPAC Name: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol Traditional Name: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol Formula: C26H26O3S MolecularWeight: 418.54784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CC/C/1=C(/C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)\C4=CC=CC=C4

InChI

InChI=1S/C26H26O3S/c1-2-22-23-11-7-6-10-19(23)17-30-25-14-21(29-16-20(28)15-27)12-13-24(25)26(22)18-8-4-3-5-9-18/h3-14,20,27-28H,2,15-17H2,1H3/b26-22-