5-[(E)-1-thianthren-5-ium-5-yloct-1-en-2-yl]thianthren-5-ium

Systemtic Name: 5-[(E)-1-thianthren-5-ium-5-yloct-1-en-2-yl]thianthren-5-ium Openeye Name: 5-[(1E)-1-(thianthren-5-ium-5-ylmethylene)heptyl]thianthren-5-ium CAS Name: 5-[(E)-1-(5-thianthren-5-iumyl)oct-1-en-2-yl]thianthren-5-ium IUPAC Name: 5-[(E)-1-thianthren-5-ium-5-yloct-1-en-2-yl]thianthren-5-ium Traditional Name: 5-[(E)-1-hexyl-2-thianthren-5-ium-5-yl-vinyl]thianthren-5-ium Formula: C32H30S4+2 MolecularWeight: 542.8406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C[S+]1C2=CC=CC=C2SC3=CC=CC=C31)[S+]4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CCCCCC/C(=C\[S+]1C2=CC=CC=C2SC3=CC=CC=C31)/[S+]4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C32H30S4/c1-2-3-4-5-14-24(36-31-21-12-8-17-27(31)34-28-18-9-13-22-32(28)36)23-35-29-19-10-6-15-25(29)33-26-16-7-11-20-30(26)35/h6-13,15-23H,2-5,14H2,1H3/q+2/b24-23+