5-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)thianthren-5-ium

Systemtic Name: 5-(2-methyl-3-thianthren-5-ium-5-yl-butan-2-yl)thianthren-5-ium Openeye Name: 5-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)thianthren-5-ium CAS Name: 5-[2-methyl-3-(5-thianthren-5-iumyl)butan-2-yl]thianthren-5-ium IUPAC Name: 5-(2-methyl-3-thianthren-5-ium-5-ylbutan-2-yl)thianthren-5-ium Traditional Name: 5-(1,1-dimethyl-2-thianthren-5-ium-5-yl-propyl)thianthren-5-ium Formula: C29H26S4+2 MolecularWeight: 502.77674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26S4/c1-20(32-25-16-8-4-12-21(25)30-22-13-5-9-17-26(22)32)29(2,3)33-27-18-10-6-14-23(27)31-24-15-7-11-19-28(24)33/h4-20H,1-3H3/q+2