2-oxidanylbutanedioic acid; 2-prop-2-enylsulfanylethanamine

Systemtic Name: 2-oxidanylbutanedioic acid; 2-prop-2-enylsulfanylethanamine Openeye Name: 2-allylsulfanylethanamine; 2-hydroxybutanedioic acid CAS Name: 2-hydroxybutanedioic acid; 2-(prop-2-enylthio)ethanamine IUPAC Name: 2-hydroxybutanedioic acid; 2-prop-2-enylsulfanylethanamine Traditional Name: 2-(allylthio)ethylamine; malic acid Formula: C9H17NO5S MolecularWeight: 251.29998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCCN.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

C=CCSCCN.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C5H11NS.C4H6O5/c1-2-4-7-5-3-6;5-2(4(8)9)1-3(6)7/h2H,1,3-6H2;2,5H,1H2,(H,6,7)(H,8,9)