2-oxidanylbutanedioate; 2-(phenylmethyl)sulfinylethylazanium

Systemtic Name: 2-oxidanylbutanedioate; 2-(phenylmethyl)sulfinylethylazanium Openeye Name: 2-benzylsulfinylethylammonium; 2-hydroxybutanedioate CAS Name: 2-hydroxybutanedioate; 2-(phenylmethyl)sulfinylethylammonium IUPAC Name: 2-benzylsulfinylethylazanium; 2-hydroxybutanedioate Traditional Name: 2-benzylsulfinylethylammonium; 2-hydroxysuccinate Formula: C22H32N2O7S2 MolecularWeight: 500.62868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13NOS.C4H6O5/c2*10-6-7-12(11)8-9-4-2-1-3-5-9;5-2(4(8)9)1-3(6)7/h2*1-5H,6-8,10H2;2,5H,1H2,(H,6,7)(H,8,9)