5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium

Systemtic Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium Openeye Name: 5-[(1R,2S)-1-ethyl-2-thianthren-5-ium-5-yl-propyl]thianthren-5-ium CAS Name: 5-[(2S,3R)-2-(5-thianthren-5-iumyl)pentan-3-yl]thianthren-5-ium IUPAC Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium Traditional Name: 5-[(1R,2S)-1-ethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26S4/c1-3-25(33-28-18-10-6-14-23(28)31-24-15-7-11-19-29(24)33)20(2)32-26-16-8-4-12-21(26)30-22-13-5-9-17-27(22)32/h4-20,25H,3H2,1-2H3/q+2/t20-,25+/m0/s1