dimethylazanium; N-dodecylcarbamodithioate; manganese(2+); piperazine; tricarbamodithioate

Systemtic Name: dimethylazanium; N-dodecylcarbamodithioate; manganese(2+); piperazine; tricarbamodithioate Openeye Name: dimanganous; dimethylammonium; N-dodecylcarbamodithioate; piperazine; tricarbamodithioate CAS Name: dimethylammonium; N-dodecylcarbamodithioate; manganese(2+); piperazine; tricarbamodithioate IUPAC Name: dimethylazanium; N-dodecylcarbamodithioate; manganese(2+); piperazine; tricarbamodithioate Traditional Name: dimanganous; dimethylammonium; N-laurylcarbamodithioate; piperazine; tricarbamodithioate Formula: C58H130Mn2N14S12 MolecularWeight: 1518.402698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)[S-].CCCCCCCCCCCCNC(=S)[S-].CCCCCCCCCCCCNC(=S)[S-].C[NH2+]C.C[NH2+]C.C1CNCCN1.C1CNCCN1.C1CNCCN1.C(=S)(N)[S-].C(=S)(N)[S-].C(=S)(N)[S-].[Mn+2].[Mn+2]

Isomeric SMILES

CCCCCCCCCCCCNC(=S)[S-].CCCCCCCCCCCCNC(=S)[S-].CCCCCCCCCCCCNC(=S)[S-].C[NH2+]C.C[NH2+]C.C1CNCCN1.C1CNCCN1.C1CNCCN1.C(=S)(N)[S-].C(=S)(N)[S-].C(=S)(N)[S-].[Mn+2].[Mn+2]

InChI

InChI=1S/3C13H27NS2.3C4H10N2.2C2H7N.3CH3NS2.2Mn/c3*1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16;3*1-2-6-4-3-5-1;2*1-3-2;3*2-1(3)4;;/h3*2-12H2,1H3,(H2,14,15,16);3*5-6H,1-4H2;2*3H,1-2H3;3*(H3,2,3,4);;/q;;;;;;;;;;;2*+2/p-4