sodium; 4-ethylsulfanyl-2-methylidene-butanoate; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid

Systemtic Name: sodium; 4-ethylsulfanyl-2-methylidene-butanoate; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid Openeye Name: sodium; 4-ethylsulfanyl-2-methylene-butanoate; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid CAS Name: sodium; 4-(ethylthio)-2-methylenebutanoate; 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonic acid IUPAC Name: sodium; 4-ethylsulfanyl-2-methylidenebutanoate; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid Traditional Name: sodium; 2-acrylamido-2-methyl-propane-1-sulfonic acid; 2-[2-(ethylthio)ethyl]acrylate Formula: C14H24NNaO6S2 MolecularWeight: 389.46323

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(=C)C(=O)[O-].CC(C)(CS(=O)(=O)O)NC(=O)C=C.[Na+]

Isomeric SMILES

CCSCCC(=C)C(=O)[O-].CC(C)(CS(=O)(=O)O)NC(=O)C=C.[Na+]

InChI

InChI=1S/C7H13NO4S.C7H12O2S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-3-10-5-4-6(2)7(8)9;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2-5H2,1H3,(H,8,9);/q;;+1/p-1