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calcium octadecan-1-ol sulfate

calcium octadecan-1-ol sulfate

Systemtic Name:calcium octadecan-1-ol sulfate
Openeye Name:calcium octadecan-1-ol sulfate
CAS Name:calcium 1-octadecanol sulfate
IUPAC Name:calcium octadecan-1-ol sulfate
Traditional Name:calcium octadecan-1-ol sulfate
Formula: C18H38CaO5S
MolecularWeight: 406.63432
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCO.[O-]S(=O)(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCO.[O-]S(=O)(=O)[O-].[Ca+2]


InChI

InChI=1S/C18H38O.Ca.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;1-5(2,3)4/h19H,2-18H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2


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