magnesium 4-dodecan-3-ylbenzenesulfonate

Systemtic Name: magnesium 4-dodecan-3-ylbenzenesulfonate Openeye Name: magnesium 4-(1-ethyldecyl)benzenesulfonate CAS Name: magnesium 4-dodecan-3-ylbenzenesulfonate IUPAC Name: magnesium 4-dodecan-3-ylbenzenesulfonate Traditional Name: magnesium 4-(1-ethyldecyl)besylate Formula: C36H58MgO6S2 MolecularWeight: 675.27712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Mg+2]

Isomeric SMILES

CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Mg+2]

InChI

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