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

Systemtic Name: [3-(13-methyltetradecyl)-5-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [3-hydroxy-5-(13-methyltetradecyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-hydroxy-5-(13-methyltetradecyl)phenyl] ester IUPAC Name: [3-hydroxy-5-(13-methyltetradecyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-hydroxy-5-(13-methyltetradecyl)phenyl] ester Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O5S/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(16-19)26-27(23,24)25/h15-18,22H,3-14H2,1-2H3,(H,23,24,25)