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

Systemtic Name: [3-(13-methylpentadecyl)-5-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [3-(13-methylpentadecyl)-5-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-(13-methylpentadecyl)-5-sulfooxyphenyl] ester IUPAC Name: [3-(13-methylpentadecyl)-5-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-(13-methylpentadecyl)-5-sulfoxy-phenyl] ester Formula: C22H38O8S2 MolecularWeight: 494.66232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O8S2/c1-3-19(2)14-12-10-8-6-4-5-7-9-11-13-15-20-16-21(29-31(23,24)25)18-22(17-20)30-32(26,27)28/h16-19H,3-15H2,1-2H3,(H,23,24,25)(H,26,27,28)