trialuminum trimagnesium 2-hexadecyloctadecanedioate pentahydroxide

Systemtic Name: trialuminum trimagnesium 2-hexadecyloctadecanedioate pentahydroxide Openeye Name: trialuminum trimagnesium 2-hexadecyloctadecanedioate pentahydroxide CAS Name: trialuminum trimagnesium 2-hexadecyloctadecanedioate pentahydroxide IUPAC Name: trialuminum trimagnesium 2-hexadecyloctadecanedioate pentahydroxide Traditional Name: trialuminum trimagnesium 2-cetyloctadecanedioate pentahydroxide Formula: C170H325Al3Mg3O25 MolecularWeight: 2923.244114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/5C34H66O4.3Al.3Mg.5H2O/c5*1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-29-32(34(37)38)30-27-24-21-18-15-12-10-13-16-19-22-25-28-31-33(35)36;;;;;;;;;;;/h5*32H,2-31H2,1H3,(H,35,36)(H,37,38);;;;;;;5*1H2/q;;;;;3*+3;3*+2;;;;;/p-15