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(3-pentadecyl-5-sulfooxy-phenyl) hydrogen sulfate

(3-pentadecyl-5-sulfooxy-phenyl) hydrogen sulfate

Systemtic Name:(3-pentadecyl-5-sulfooxy-phenyl) hydrogen sulfate
Openeye Name:(3-pentadecyl-5-sulfooxy-phenyl) hydrogen sulfate
CAS Name:sulfuric acid (3-pentadecyl-5-sulfooxyphenyl) ester
IUPAC Name:(3-pentadecyl-5-sulfooxyphenyl) hydrogen sulfate
Traditional Name:sulfuric acid (3-pentadecyl-5-sulfoxy-phenyl) ester
Formula: C21H36O8S2
MolecularWeight: 480.63574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O


InChI

InChI=1S/C21H36O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(28-30(22,23)24)18-21(17-19)29-31(25,26)27/h16-18H,2-15H2,1H3,(H,22,23,24)(H,25,26,27)


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