2-azanyl-4-methylsulfanyl-butanoic acid; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; (2E,4E)-hexa-2,4-dienoate Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; (2E,4E)-hexa-2,4-dienoate CAS Name: 2-amino-4-(methylthio)butanoic acid; (2E,4E)-hexa-2,4-dienoate IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; (2E,4E)-hexa-2,4-dienoate Traditional Name: 2-amino-4-(methylthio)butyric acid sorbate Formula: C11H18NO4S- MolecularWeight: 260.32992

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].CSCCC(C(=O)O)N

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].CSCCC(C(=O)O)N

InChI

InChI=1S/C6H8O2.C5H11NO2S/c1-2-3-4-5-6(7)8;1-9-3-2-4(6)5(7)8/h2-5H,1H3,(H,7,8);4H,2-3,6H2,1H3,(H,7,8)/p-1/b3-2+,5-4+;