6,7-diethyl-1,2-benzodithiin-2-ium perchlorate

Systemtic Name: 6,7-diethyl-1,2-benzodithiin-2-ium perchlorate Openeye Name: 6,7-diethyl-1,2-benzodithiin-2-ium perchlorate CAS Name: 6,7-diethyl-1,2-benzodithiin-2-ium perchlorate IUPAC Name: 6,7-diethyl-1,2-benzodithiin-2-ium perchlorate Traditional Name: 6,7-diethyl-1,2-benzodithiin-2-ium perchlorate Formula: C12H15ClO4S2 MolecularWeight: 322.8281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C=C[SH+]S2)CC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C=C[SH+]S2)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H14S2.ClHO4/c1-3-9-7-11-5-6-13-14-12(11)8-10(9)4-2;2-1(3,4)5/h5-8H,3-4H2,1-2H3;(H,2,3,4,5)