2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate

Systemtic Name: 2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate Openeye Name: 2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate CAS Name: 2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate IUPAC Name: 2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate Traditional Name: 2-(4-bromophenyl)-5-tert-butyl-5,6-dihydro-4H-1,3-dithiin-1-ium perchlorate Formula: C14H18BrClO4S2 MolecularWeight: 429.77732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(=[S+]C1)C2=CC=C(C=C2)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1CSC(=[S+]C1)C2=CC=C(C=C2)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H18BrS2.ClHO4/c1-14(2,3)11-8-16-13(17-9-11)10-4-6-12(15)7-5-10;2-1(3,4)5/h4-7,11H,8-9H2,1-3H3;(H,2,3,4,5)/q+1;/p-1