disodium 4-octadecan-9-yloxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-octadecan-9-yloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-(1-octyldecoxy)-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-octadecan-9-yloxy-4-oxo-3-sulfobutanoate IUPAC Name: disodium 4-octadecan-9-yloxy-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-(1-octyldecoxy)-3-sulfo-butyrate Formula: C22H41Na2O7S+ MolecularWeight: 495.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C22H42O7S.2Na/c1-3-5-7-9-11-13-15-17-19(16-14-12-10-8-6-4-2)29-22(25)20(18-21(23)24)30(26,27)28;;/h19-20H,3-18H2,1-2H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-1