1,3-dithiol-2-ylidene-methyl-(4-methyl-1-oxidanylidene-1-propan-2-yloxy-pentan-2-yl)azanium perchlorate

Systemtic Name: 1,3-dithiol-2-ylidene-methyl-(4-methyl-1-oxidanylidene-1-propan-2-yloxy-pentan-2-yl)azanium perchlorate Openeye Name: 1,3-dithiol-2-ylidene-(1-isopropoxycarbonyl-3-methyl-butyl)-methyl-ammonium perchlorate CAS Name: 1,3-dithiol-2-ylidene-methyl-(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)ammonium perchlorate IUPAC Name: 1,3-dithiol-2-ylidene-methyl-(4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl)azanium perchlorate Traditional Name: 1,3-dithiol-2-ylidene-(1-isopropoxycarbonyl-3-methyl-butyl)-methyl-ammonium perchlorate Formula: C13H22ClNO6S2 MolecularWeight: 387.89988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)C)[N+](=C1SC=CS1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)CC(C(=O)OC(C)C)[N+](=C1SC=CS1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H22NO2S2.ClHO4/c1-9(2)8-11(12(15)16-10(3)4)14(5)13-17-6-7-18-13;2-1(3,4)5/h6-7,9-11H,8H2,1-5H3;(H,2,3,4,5)/q+1;/p-1