trimagnesium 2-dodecylbenzenesulfonate dicarbonate

Systemtic Name: trimagnesium 2-dodecylbenzenesulfonate dicarbonate Openeye Name: trimagnesium 2-dodecylbenzenesulfonate dicarbonate CAS Name: trimagnesium 2-dodecylbenzenesulfonate dicarbonate IUPAC Name: trimagnesium 2-dodecylbenzenesulfonate dicarbonate Traditional Name: trimagnesium 2-laurylbesylate dicarbonate Formula: C38H58Mg3O12S2 MolecularWeight: 843.90492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]

InChI

InChI=1S/2C18H30O3S.2CH2O3.3Mg/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;2*2-1(3)4;;;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2*(H2,2,3,4);;;/q;;;;3*+2/p-6