2-oxidanylethanoate; 3-(phenylmethylsulfanyl)propylazanium

Systemtic Name: 2-oxidanylethanoate; 3-(phenylmethylsulfanyl)propylazanium Openeye Name: 3-benzylsulfanylpropylammonium; 2-hydroxyacetate CAS Name: 2-hydroxyacetate; 3-(phenylmethylthio)propylammonium IUPAC Name: 3-benzylsulfanylpropylazanium; 2-hydroxyacetate Traditional Name: 3-(benzylthio)propylammonium; glycolate Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NS.C2H4O3/c11-7-4-8-12-9-10-5-2-1-3-6-10;3-1-2(4)5/h1-3,5-6H,4,7-9,11H2;3H,1H2,(H,4,5)