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

Systemtic Name: sodium [3-(13-methylpentadecyl)-5-oxidanyl-phenyl] sulfate Openeye Name: sodium [3-hydroxy-5-(13-methylpentadecyl)phenyl] sulfate CAS Name: sodium [3-hydroxy-5-(13-methylpentadecyl)phenyl] sulfate IUPAC Name: sodium [3-hydroxy-5-(13-methylpentadecyl)phenyl] sulfate Traditional Name: sodium [3-hydroxy-5-(13-methylpentadecyl)phenyl] sulfate Formula: C22H37NaO5S MolecularWeight: 436.58095

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCC(C)CCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H38O5S.Na/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);/q;+1/p-1