5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cyclohexyl]thianthren-5-ium IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium Formula: C30H26S4+2 MolecularWeight: 514.78744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75

Isomeric SMILES

C1CC[C@H]([C@@H](C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75

InChI

InChI=1S/C30H26S4/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)33(25)29-19-9-10-20-30(29)34-27-17-7-3-13-23(27)32-24-14-4-8-18-28(24)34/h1-8,11-18,29-30H,9-10,19-20H2/q+2/t29-,30-/m1/s1