[3-(13-methylpentadecyl)-5-oxidanyl-phenyl] hydrogen sulfate

Systemtic Name: [3-(13-methylpentadecyl)-5-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [3-hydroxy-5-(13-methylpentadecyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-hydroxy-5-(13-methylpentadecyl)phenyl] ester IUPAC Name: [3-hydroxy-5-(13-methylpentadecyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-hydroxy-5-(13-methylpentadecyl)phenyl] ester Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O5S/c1-3-19(2)14-12-10-8-6-4-5-7-9-11-13-15-20-16-21(23)18-22(17-20)27-28(24,25)26/h16-19,23H,3-15H2,1-2H3,(H,24,25,26)