5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium

Systemtic Name: 5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium Openeye Name: 5-[(1S,2R)-1-butyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium CAS Name: 5-[(5S,6R)-6-(5-thianthren-5-iumyl)decan-5-yl]thianthren-5-ium IUPAC Name: 5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium Traditional Name: 5-[(1S,2R)-1-butyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium Formula: C34H36S4+2 MolecularWeight: 572.90964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H36S4/c1-3-5-19-33(37-29-21-11-7-15-25(29)35-26-16-8-12-22-30(26)37)34(20-6-4-2)38-31-23-13-9-17-27(31)36-28-18-10-14-24-32(28)38/h7-18,21-24,33-34H,3-6,19-20H2,1-2H3/q+2/t33-,34+