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sodium 2-pentadecylbenzene-1,4-diol sulfate

sodium 2-pentadecylbenzene-1,4-diol sulfate

Systemtic Name:sodium 2-pentadecylbenzene-1,4-diol sulfate
Openeye Name:sodium 2-pentadecylbenzene-1,4-diol sulfate
CAS Name:sodium 2-pentadecylbenzene-1,4-diol sulfate
IUPAC Name:sodium 2-pentadecylbenzene-1,4-diol sulfate
Traditional Name:sodium 2-pentadecylhydroquinone sulfate
Formula: C21H36NaO6S-
MolecularWeight: 439.56171
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)O.[O-]S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)O.[O-]S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C21H36O2.Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(22)16-17-21(19)23;;1-5(2,3)4/h16-18,22-23H,2-15H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2


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