2-oxidanylpropane-1,2,3-tricarboxylate; 3-thiophen-2-ylpropan-1-amine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 3-thiophen-2-ylpropan-1-amine Openeye Name: 3-(2-thienyl)propan-1-amine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-thiophen-2-yl-1-propanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-thiophen-2-ylpropan-1-amine Traditional Name: 3-(2-thienyl)propylamine citrate Formula: C13H16NO7S-3 MolecularWeight: 330.33364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCN.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)CCCN.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H11NS.C6H8O7/c8-5-1-3-7-4-2-6-9-7;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6H,1,3,5,8H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3