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4-methylpentyl hydrogen sulfate

4-methylpentyl hydrogen sulfate

Systemtic Name:4-methylpentyl hydrogen sulfate
Openeye Name:isohexyl hydrogen sulfate
CAS Name:sulfuric acid 4-methylpentyl ester
IUPAC Name:4-methylpentyl hydrogen sulfate
Traditional Name:sulfuric acid isohexyl ester
Formula: C6H14O4S
MolecularWeight: 182.23796
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOS(=O)(=O)O


Isomeric SMILES

CC(C)CCCOS(=O)(=O)O


InChI

InChI=1S/C6H14O4S/c1-6(2)4-3-5-10-11(7,8)9/h6H,3-5H2,1-2H3,(H,7,8,9)


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