[2-(4-methylsulfanylphenoxy)ethylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(4-methylsulfanylphenoxy)ethylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [2-(4-methylsulfanylphenoxy)ethylamino]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [2-[4-(methylthio)phenoxy]ethylamino]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; [2-(4-methylsulfanylphenoxy)ethylamino]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [2-[4-(methylthio)phenoxy]ethylamino]ammonium Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCCN[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCCN[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C9H14N2OS.C4H4O4/c1-13-9-4-2-8(3-5-9)12-7-6-11-10;5-3(6)1-2-4(7)8/h2-5,11H,6-7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-