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sodium octan-2-yl hydrogen sulfate

sodium octan-2-yl hydrogen sulfate

Systemtic Name:sodium octan-2-yl hydrogen sulfate
Openeye Name:sodium 1-methylheptyl hydrogen sulfate
CAS Name:sodium sulfuric acid octan-2-yl ester
IUPAC Name:sodium octan-2-yl hydrogen sulfate
Traditional Name:sodium sulfuric acid 1-methylheptyl ester
Formula: C8H18NaO4S+
MolecularWeight: 233.28089
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)O.[Na+]


Isomeric SMILES

CCCCCCC(C)OS(=O)(=O)O.[Na+]


InChI

InChI=1S/C8H18O4S.Na/c1-3-4-5-6-7-8(2)12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1


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