1-[[2-(3,7-dimethyloctoxy)-5-methoxy-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium

Systemtic Name: 1-[[2-(3,7-dimethyloctoxy)-5-methoxy-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium Openeye Name: 1-[[2-(3,7-dimethyloctoxy)-5-methoxy-4-(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]methyl]tetrahydrothiophen-1-ium CAS Name: 1-[[2-(3,7-dimethyloctoxy)-5-methoxy-4-(1-thiolan-1-iumylmethyl)phenyl]methyl]thiolan-1-ium IUPAC Name: 1-[[2-(3,7-dimethyloctoxy)-5-methoxy-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium Traditional Name: 1-[2-(3,7-dimethyloctoxy)-5-methoxy-4-(tetrahydrothiophen-1-ium-1-ylmethyl)benzyl]tetrahydrothiophen-1-ium Formula: C27H46O2S2+2 MolecularWeight: 466.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=CC(=C(C=C1C[S+]2CCCC2)OC)C[S+]3CCCC3

Isomeric SMILES

CC(C)CCCC(C)CCOC1=CC(=C(C=C1C[S+]2CCCC2)OC)C[S+]3CCCC3

InChI

InChI=1S/C27H46O2S2/c1-22(2)10-9-11-23(3)12-13-29-27-19-24(20-30-14-5-6-15-30)26(28-4)18-25(27)21-31-16-7-8-17-31/h18-19,22-23H,5-17,20-21H2,1-4H3/q+2