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aluminum octacosan-11-yl sulfate hydrate

aluminum octacosan-11-yl sulfate hydrate

Systemtic Name:aluminum octacosan-11-yl sulfate hydrate
Openeye Name:aluminum 1-decyloctadecyl sulfate hydrate
CAS Name:aluminum octacosan-11-yl sulfate hydrate
IUPAC Name:aluminum octacosan-11-yl sulfate hydrate
Traditional Name:aluminum 1-decyloctadecyl sulfate hydrate
Formula: C28H59AlO5S+2
MolecularWeight: 534.811598
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)OS(=O)(=O)[O-].O.[Al+3]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)OS(=O)(=O)[O-].O.[Al+3]


InChI

InChI=1S/C28H58O4S.Al.H2O/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-28(32-33(29,30)31)26-24-22-20-12-10-8-6-4-2;;/h28H,3-27H2,1-2H3,(H,29,30,31);;1H2/q;+3;/p-1


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