disodium (3-hexadecyl-5-sulfonatooxy-phenyl) sulfate

Systemtic Name: disodium (3-hexadecyl-5-sulfonatooxy-phenyl) sulfate Openeye Name: disodium (3-hexadecyl-5-sulfonatooxy-phenyl) sulfate CAS Name: disodium (3-hexadecyl-5-sulfonatooxyphenyl) sulfate IUPAC Name: disodium (3-hexadecyl-5-sulfonatooxyphenyl) sulfate Traditional Name: disodium (3-cetyl-5-sulfato-phenyl) sulfate Formula: C22H36Na2O8S2 MolecularWeight: 538.62598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H38O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(29-31(23,24)25)19-22(18-20)30-32(26,27)28;;/h17-19H,2-16H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2