2-oxidanylbutanedioic acid; 2-(phenylmethylsulfanyl)ethanamine

Systemtic Name: 2-oxidanylbutanedioic acid; 2-(phenylmethylsulfanyl)ethanamine Openeye Name: 2-benzylsulfanylethanamine; 2-hydroxybutanedioic acid CAS Name: 2-hydroxybutanedioic acid; 2-(phenylmethylthio)ethanamine IUPAC Name: 2-benzylsulfanylethanamine; 2-hydroxybutanedioic acid Traditional Name: 2-(benzylthio)ethylamine; malic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCN.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C9H13NS.C4H6O5/c10-6-7-11-8-9-4-2-1-3-5-9;5-2(4(8)9)1-3(6)7/h1-5H,6-8,10H2;2,5H,1H2,(H,6,7)(H,8,9)