disodium [3-(15-methylhexadecyl)-5-sulfonatooxy-phenyl] sulfate

Systemtic Name: disodium [3-(15-methylhexadecyl)-5-sulfonatooxy-phenyl] sulfate Openeye Name: disodium [3-(15-methylhexadecyl)-5-sulfonatooxy-phenyl] sulfate CAS Name: disodium [3-(15-methylhexadecyl)-5-sulfonatooxyphenyl] sulfate IUPAC Name: disodium [3-(15-methylhexadecyl)-5-sulfonatooxyphenyl] sulfate Traditional Name: disodium [3-(15-methylhexadecyl)-5-sulfato-phenyl] sulfate Formula: C23H38Na2O8S2 MolecularWeight: 552.65256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H40O8S2.2Na/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-17-22(30-32(24,25)26)19-23(18-21)31-33(27,28)29;;/h17-20H,3-16H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2