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[3-(13-methyltetradecyl)-5-sulfooxy-phenyl] hydrogen sulfate

[3-(13-methyltetradecyl)-5-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name:[3-(13-methyltetradecyl)-5-sulfooxy-phenyl] hydrogen sulfate
Openeye Name:[3-(13-methyltetradecyl)-5-sulfooxy-phenyl] hydrogen sulfate
CAS Name:sulfuric acid [3-(13-methyltetradecyl)-5-sulfooxyphenyl] ester
IUPAC Name:[3-(13-methyltetradecyl)-5-sulfooxyphenyl] hydrogen sulfate
Traditional Name:sulfuric acid [3-(13-methyltetradecyl)-5-sulfoxy-phenyl] ester
Formula: C21H36O8S2
MolecularWeight: 480.63574
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O


Isomeric SMILES

CC(C)CCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O


InChI

InChI=1S/C21H36O8S2/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(28-30(22,23)24)17-21(16-19)29-31(25,26)27/h15-18H,3-14H2,1-2H3,(H,22,23,24)(H,25,26,27)


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