3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-1-ium; hydron; sulfate

Systemtic Name: 3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-1-ium; hydron; sulfate Openeye Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium; hydron; sulfate CAS Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium; hydron; sulfate IUPAC Name: 3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-1-ium; hydron; sulfate Traditional Name: 3-tert-butyl-4-neopentyl-dithiol-1-ium; hydron; sulfate Formula: C12H22O4S3 MolecularWeight: 326.49568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21S2.H2O4S/c1-11(2,3)7-9-8-13-14-10(9)12(4,5)6;1-5(2,3)4/h8H,7H2,1-6H3;(H2,1,2,3,4)/q+1;/p-1