94248-18-7 Purity
96%
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The molecular formula of calcium methyloctadecylbenzenesulfonate is C50H86CaO6S2.
The synonyms of calcium methyloctadecylbenzenesulfonate are CALCIUM METHYLOCTADECYLBENZENESULFONATE, 94248-25-6, and DTXSID10915898.
The molecular weight of calcium methyloctadecylbenzenesulfonate is 887.4 g/mol.
The parent compound of calcium methyloctadecylbenzenesulfonate is Methyloctadecylbenzenesulfonic acid (CID 57351007).
The component compounds of calcium methyloctadecylbenzenesulfonate are Calcium (CID 5460341) and Methyloctadecylbenzenesulfonic acid (CID 57351007).
The IUPAC name of calcium methyloctadecylbenzenesulfonate is calcium;3-methyl-2-octadecylbenzenesulfonate.
The InChI of calcium methyloctadecylbenzenesulfonate is InChI=1S/2C25H44O3S.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-23(2)20-19-22-25(24)29(26,27)28;/h2*19-20,22H,3-18,21H2,1-2H3,(H,26,27,28);/q;;+2/p-2.
The InChIKey of calcium methyloctadecylbenzenesulfonate is PECYLSDFANSWOZ-UHFFFAOYSA-L.
The Canonical SMILES of calcium methyloctadecylbenzenesulfonate is CCCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])C.CCCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])C.[Ca+2].
The CAS number of calcium methyloctadecylbenzenesulfonate is 94248-25-6.