5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium

Systemtic Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium Openeye Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium CAS Name: 5-[(1R,2R)-4-methyl-2-(5-thianthren-5-iumyl)cyclohexyl]thianthren-5-ium IUPAC Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium Traditional Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium Formula: C31H28S4+2 MolecularWeight: 528.81402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75

Isomeric SMILES

CC1CC[C@H]([C@@H](C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75

InChI

InChI=1S/C31H28S4/c1-21-18-19-30(34-26-14-6-2-10-22(26)32-23-11-3-7-15-27(23)34)31(20-21)35-28-16-8-4-12-24(28)33-25-13-5-9-17-29(25)35/h2-17,21,30-31H,18-20H2,1H3/q+2/t21?,30-,31-/m1/s1