5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate

Systemtic Name: 5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate Openeye Name: 5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate CAS Name: 5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate IUPAC Name: 5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate Traditional Name: 5-tert-butyl-3a,7a-dihydro-3H-1,2-benzodithiol-2-ium perchlorate Formula: C11H17ClO4S2 MolecularWeight: 312.83328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2C[SH+]SC2C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC2C[SH+]SC2C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H16S2.ClHO4/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2-1(3,4)5/h4-6,8,10H,7H2,1-3H3;(H,2,3,4,5)