3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol

Systemtic Name: 3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol Openeye Name: 3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol CAS Name: 3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol IUPAC Name: 3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol Traditional Name: 3-[4-(8H-thianthren-5-ium-1-yl)phenoxy]propane-1,2-diol Formula: C21H19O3S2+ MolecularWeight: 383.50376

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=[S+]C3=CC=CC(=C3SC2=C1)C4=CC=C(C=C4)OCC(CO)O

Isomeric SMILES

C1C=CC2=[S+]C3=CC=CC(=C3SC2=C1)C4=CC=C(C=C4)OCC(CO)O

InChI

InChI=1S/C21H19O3S2/c22-12-15(23)13-24-16-10-8-14(9-11-16)17-4-3-7-20-21(17)26-19-6-2-1-5-18(19)25-20/h1,3-11,15,22-23H,2,12-13H2/q+1