9084-06-4 Purity
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Specification
The molecular formula is C21H40NNaO4S.
The molecular weight is 425.6 g/mol.
Some synonyms include Sodium methyl oleoyl taurate and Igepon T 77.
The IUPAC name is sodium;2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate.
The InChI is InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-.
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+].
It has 4 Hydrogen Bond Acceptor Count.
The exact mass is 425.25757421 g/mol.
It has 18 Rotatable Bond Count.
The topological polar surface area is 85.9 Å2.