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

Systemtic Name: sodium [2,5-bis(oxidanyl)-4-pentadecyl-phenyl] sulfate Openeye Name: sodium (2,5-dihydroxy-4-pentadecyl-phenyl) sulfate CAS Name: sodium (2,5-dihydroxy-4-pentadecylphenyl) sulfate IUPAC Name: sodium (2,5-dihydroxy-4-pentadecylphenyl) sulfate Traditional Name: sodium (2,5-dihydroxy-4-pentadecyl-phenyl) sulfate Formula: C21H35NaO6S MolecularWeight: 438.55377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)OS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)OS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H36O6S.Na/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);/q;+1/p-1