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

Systemtic Name: disodium 4-(dodecylamino)-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-(dodecylamino)-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-(dodecylamino)-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-(dodecylamino)-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(laurylamino)-3-sulfonato-butyrate Formula: C16H29NNa2O6S MolecularWeight: 409.4491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-16(20)14(13-15(18)19)24(21,22)23;;/h14H,2-13H2,1H3,(H,17,20)(H,18,19)(H,21,22,23);;/q;2*+1/p-2