disodium [3-(13-methyltetradecyl)-5-sulfonatooxy-phenyl] sulfate

Systemtic Name: disodium [3-(13-methyltetradecyl)-5-sulfonatooxy-phenyl] sulfate Openeye Name: disodium [3-(13-methyltetradecyl)-5-sulfonatooxy-phenyl] sulfate CAS Name: disodium [3-(13-methyltetradecyl)-5-sulfonatooxyphenyl] sulfate IUPAC Name: disodium [3-(13-methyltetradecyl)-5-sulfonatooxyphenyl] sulfate Traditional Name: disodium [3-(13-methyltetradecyl)-5-sulfato-phenyl] sulfate Formula: C21H34Na2O8S2 MolecularWeight: 524.5994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O8S2.2Na/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(28-30(22,23)24)17-21(16-19)29-31(25,26)27;;/h15-18H,3-14H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2