3-methyl-1,3-thiazol-3-ium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-methyl-1,3-thiazol-3-ium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-methylthiazol-3-ium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-methylthiazol-3-ium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-methyl-1,3-thiazol-3-ium Traditional Name: 3-methylthiazol-3-ium citrate Formula: C18H23N3O7S3 MolecularWeight: 489.58612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC=C1.C[N+]1=CSC=C1.C[N+]1=CSC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C[N+]1=CSC=C1.C[N+]1=CSC=C1.C[N+]1=CSC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H8O7.3C4H6NS/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-5-2-3-6-4-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*2-4H,1H3/q;3*+1/p-3