disodium 4-oxidanylidene-4-(3-pentadecoxypropylamino)-3-sulfonato-butanoate

Systemtic Name: disodium 4-oxidanylidene-4-(3-pentadecoxypropylamino)-3-sulfonato-butanoate Openeye Name: disodium 4-oxo-4-(3-pentadecoxypropylamino)-3-sulfonato-butanoate CAS Name: disodium 4-oxo-4-(3-pentadecoxypropylamino)-3-sulfonatobutanoate IUPAC Name: disodium 4-oxo-4-(3-pentadecoxypropylamino)-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(3-pentadecoxypropylamino)-3-sulfonato-butyrate Formula: C22H41NNa2O7S MolecularWeight: 509.60798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H43NO7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30-18-15-16-23-22(26)20(19-21(24)25)31(27,28)29;;/h20H,2-19H2,1H3,(H,23,26)(H,24,25)(H,27,28,29);;/q;2*+1/p-2