disodium (Z)-4-(dodecylamino)-4-oxidanylidene-3-sulfonato-but-2-enoate

Systemtic Name: disodium (Z)-4-(dodecylamino)-4-oxidanylidene-3-sulfonato-but-2-enoate Openeye Name: disodium (Z)-4-(dodecylamino)-4-oxo-3-sulfonato-but-2-enoate CAS Name: disodium (Z)-4-(dodecylamino)-4-oxo-3-sulfonato-2-butenoate IUPAC Name: disodium (Z)-4-(dodecylamino)-4-oxo-3-sulfonatobut-2-enoate Traditional Name: disodium (Z)-4-keto-4-(laurylamino)-3-sulfonato-but-2-enoate Formula: C16H27NNa2O6S MolecularWeight: 407.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO6S.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;;/h13H,2-12H2,1H3,(H,17,20)(H,18,19)(H,21,22,23);;/q;2*+1/p-2/b14-13-;;