disodium 4-octadecoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-octadecoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-octadecoxy-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-octadecoxy-4-oxo-3-sulfobutanoate IUPAC Name: disodium 4-octadecoxy-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-stearyloxy-3-sulfo-butyrate Formula: C22H41Na2O7S+ MolecularWeight: 495.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-1