2,3-bis(oxidanyl)butanedioate; 2-(phenylmethylsulfanyl)ethylazanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; 2-(phenylmethylsulfanyl)ethylazanium Openeye Name: 2-benzylsulfanylethylammonium; 2,3-dihydroxybutanedioate CAS Name: 2,3-dihydroxybutanedioate; 2-(phenylmethylthio)ethylammonium IUPAC Name: 2-benzylsulfanylethylazanium; 2,3-dihydroxybutanedioate Traditional Name: 2-(benzylthio)ethylammonium tartrate Formula: C22H32N2O6S2 MolecularWeight: 484.62928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13NS.C4H6O6/c2*10-6-7-11-8-9-4-2-1-3-5-9;5-1(3(7)8)2(6)4(9)10/h2*1-5H,6-8,10H2;1-2,5-6H,(H,7,8)(H,9,10)