aluminum; ethane-1,2-diol; octadecanoate; trihydrochloride

Systemtic Name: aluminum; ethane-1,2-diol; octadecanoate; trihydrochloride Openeye Name: aluminum; ethylene glycol; octadecanoate; trihydrochloride CAS Name: aluminum; ethane-1,2-diol; octadecanoate; trihydrochloride IUPAC Name: aluminum; ethane-1,2-diol; octadecanoate; trihydrochloride Traditional Name: aluminum; ethylene glycol; stearate; trihydrochloride Formula: C60H126AlCl3O12 MolecularWeight: 1172.975778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C(CO)O.C(CO)O.C(CO)O.[Al+3].Cl.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].C(CO)O.C(CO)O.C(CO)O.[Al+3].Cl.Cl.Cl

InChI

InChI=1S/3C18H36O2.3C2H6O2.Al.3ClH/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*3-1-2-4;;;;/h3*2-17H2,1H3,(H,19,20);3*3-4H,1-2H2;;3*1H/q;;;;;;+3;;;/p-3