3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-1-ium perchlorate

Systemtic Name: 3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-1-ium perchlorate Openeye Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium perchlorate CAS Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium perchlorate IUPAC Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium perchlorate Traditional Name: 3-tert-butyl-4-neopentyl-dithiol-1-ium perchlorate Formula: C12H21ClO4S2 MolecularWeight: 328.87574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(S[S+]=C1)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)CC1=C(S[S+]=C1)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H21S2.ClHO4/c1-11(2,3)7-9-8-13-14-10(9)12(4,5)6;2-1(3,4)5/h8H,7H2,1-6H3;(H,2,3,4,5)/q+1;/p-1