[2,5-bis(oxidanyl)-4-pentadecyl-phenyl] hydrogen sulfate

Systemtic Name: [2,5-bis(oxidanyl)-4-pentadecyl-phenyl] hydrogen sulfate Openeye Name: (2,5-dihydroxy-4-pentadecyl-phenyl) hydrogen sulfate CAS Name: sulfuric acid (2,5-dihydroxy-4-pentadecylphenyl) ester IUPAC Name: (2,5-dihydroxy-4-pentadecylphenyl) hydrogen sulfate Traditional Name: sulfuric acid (2,5-dihydroxy-4-pentadecyl-phenyl) ester Formula: C21H36O6S MolecularWeight: 416.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)OS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)OS(=O)(=O)O)O

InChI

InChI=1S/C21H36O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)21(17-19(18)22)27-28(24,25)26/h16-17,22-23H,2-15H2,1H3,(H,24,25,26)