azane; 4-(octadecylamino)-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: azane; 4-(octadecylamino)-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: ammonia; 4-(octadecylamino)-4-oxo-2-sulfo-butanoic acid CAS Name: ammonia; 4-(octadecylamino)-4-oxo-2-sulfobutanoic acid IUPAC Name: azane; 4-(octadecylamino)-4-oxo-2-sulfobutanoic acid Traditional Name: ammonia; 4-keto-4-(stearylamino)-2-sulfo-butyric acid Formula: C22H49N3O6S MolecularWeight: 483.70596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O.N.N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O.N.N

InChI

InChI=1S/C22H43NO6S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);2*1H3