calcium hexyl hydrogen sulfate

Systemtic Name: calcium hexyl hydrogen sulfate Openeye Name: calcium hexyl hydrogen sulfate CAS Name: calcium sulfuric acid hexyl ester IUPAC Name: calcium hexyl hydrogen sulfate Traditional Name: calcium sulfuric acid hexyl ester Formula: C6H14CaO4S+2 MolecularWeight: 222.31596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)O.[Ca+2]

Isomeric SMILES

CCCCCCOS(=O)(=O)O.[Ca+2]

InChI

InChI=1S/C6H14O4S.Ca/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+2