trizinc; N,N-dibutylcarbamodithioate; octadecanoate

Systemtic Name: trizinc; N,N-dibutylcarbamodithioate; octadecanoate Openeye Name: trizinc; N,N-dibutylcarbamodithioate; octadecanoate CAS Name: trizinc; N,N-dibutylcarbamodithioate; octadecanoate IUPAC Name: trizinc; N,N-dibutylcarbamodithioate; octadecanoate Traditional Name: trizinc; N,N-dibutylcarbamodithioate; stearate Formula: C90H176N2O8S4Zn3 MolecularWeight: 1738.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/4C18H36O2.2C9H19NS2.3Zn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-10(9(11)12)8-6-4-2;;;/h4*2-17H2,1H3,(H,19,20);2*3-8H2,1-2H3,(H,11,12);;;/q;;;;;;3*+2/p-6