1-[[4-(thian-1-ium-1-ylmethyl)phenyl]methyl]thian-1-ium

Systemtic Name: 1-[[4-(thian-1-ium-1-ylmethyl)phenyl]methyl]thian-1-ium Openeye Name: 1-[[4-(tetrahydrothiopyran-1-ium-1-ylmethyl)phenyl]methyl]tetrahydrothiopyran-1-ium CAS Name: 1-[[4-(1-thian-1-iumylmethyl)phenyl]methyl]thian-1-ium IUPAC Name: 1-[[4-(thian-1-ium-1-ylmethyl)phenyl]methyl]thian-1-ium Traditional Name: 1-[4-(tetrahydrothiopyran-1-ium-1-ylmethyl)benzyl]tetrahydrothiopyran-1-ium Formula: C18H28S2+2 MolecularWeight: 308.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](CC1)CC2=CC=C(C=C2)C[S+]3CCCCC3

Isomeric SMILES

C1CC[S+](CC1)CC2=CC=C(C=C2)C[S+]3CCCCC3

InChI

InChI=1S/C18H28S2/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20/h7-10H,1-6,11-16H2/q+2