disodium 4-(octadecylamino)-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-(octadecylamino)-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-(octadecylamino)-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-(octadecylamino)-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-(octadecylamino)-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(stearylamino)-2-sulfonato-butyrate Formula: C44H82N2Na2O12S2-2 MolecularWeight: 941.23762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H43NO6S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h2*20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;;2*+1/p-4