2-oxidanylbutanedioate; 2-prop-2-enylsulfanylethylazanium

Systemtic Name: 2-oxidanylbutanedioate; 2-prop-2-enylsulfanylethylazanium Openeye Name: 2-allylsulfanylethylammonium; 2-hydroxybutanedioate CAS Name: 2-hydroxybutanedioate; 2-(prop-2-enylthio)ethylammonium IUPAC Name: 2-hydroxybutanedioate; 2-prop-2-enylsulfanylethylazanium Traditional Name: 2-(allylthio)ethylammonium; 2-hydroxysuccinate Formula: C14H28N2O5S2 MolecularWeight: 368.51252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC[NH3+].C=CCSCC[NH3+].C(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C=CCSCC[NH3+].C=CCSCC[NH3+].C(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/2C5H11NS.C4H6O5/c2*1-2-4-7-5-3-6;5-2(4(8)9)1-3(6)7/h2*2H,1,3-6H2;2,5H,1H2,(H,6,7)(H,8,9)