disodium 9-sulfooxyoctadecanoate

Systemtic Name: disodium 9-sulfooxyoctadecanoate Openeye Name: disodium 9-sulfooxyoctadecanoate CAS Name: disodium 9-sulfooxyoctadecanoate IUPAC Name: disodium 9-sulfooxyoctadecanoate Traditional Name: disodium 9-sulfoxystearate Formula: C18H35Na2O6S+ MolecularWeight: 425.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C18H36O6S.2Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-1