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cobalt(2+); octadecanoate; 1,4,8,11-tetrazacyclotetradecane

cobalt(2+); octadecanoate; 1,4,8,11-tetrazacyclotetradecane

Systemtic Name:cobalt(2+); octadecanoate; 1,4,8,11-tetrazacyclotetradecane
Openeye Name:cobaltous; octadecanoate; 1,4,8,11-tetrazacyclotetradecane
CAS Name:cobalt(2+); octadecanoate; 1,4,8,11-tetrazacyclotetradecane
IUPAC Name:cobalt(2+); octadecanoate; 1,4,8,11-tetrazacyclotetradecane
Traditional Name:cobaltous; stearate; 1,4,8,11-tetrazacyclotetradecane
Formula: C46H94CoN4O4
MolecularWeight: 826.19616
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1CNCCNCCCNCCNC1.[Co+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C1CNCCNCCCNCCNC1.[Co+2]


InChI

InChI=1S/2C18H36O2.C10H24N4.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h2*2-17H2,1H3,(H,19,20);11-14H,1-10H2;/q;;;+2/p-2


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