sodium 2-azanyl-3-methyl-4-oxidanylidene-hex-5-ene-3-sulfonate

Systemtic Name: sodium 2-azanyl-3-methyl-4-oxidanylidene-hex-5-ene-3-sulfonate Openeye Name: sodium 2-amino-3-methyl-4-oxo-hex-5-ene-3-sulfonate CAS Name: sodium 2-amino-3-methyl-4-oxo-5-hexene-3-sulfonate IUPAC Name: sodium 2-amino-3-methyl-4-oxohex-5-ene-3-sulfonate Traditional Name: sodium 2-amino-4-keto-3-methyl-hex-5-ene-3-sulfonate Formula: C7H12NNaO4S MolecularWeight: 229.22925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO4S.Na/c1-4-6(9)7(3,5(2)8)13(10,11)12;/h4-5H,1,8H2,2-3H3,(H,10,11,12);/q;+1/p-1