trisodium dodecane sulfate hydrate

Systemtic Name: trisodium dodecane sulfate hydrate Openeye Name: trisodium dodecane sulfate hydrate CAS Name: trisodium dodecane sulfate hydrate IUPAC Name: trisodium dodecane sulfate hydrate Traditional Name: trisodium dodecane sulfate hydrate Formula: C12H27Na3O5S MolecularWeight: 352.37409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].O.[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC[CH2-].O.[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H25.3Na.H2O4S.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;;;1-5(2,3)4;/h1,3-12H2,2H3;;;;(H2,1,2,3,4);1H2/q-1;3*+1;;/p-2