2-oxidanylpropane-1,2,3-tricarboxylate; S-propyl ethanethioate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; S-propyl ethanethioate Openeye Name: S-propyl ethanethioate citrate CAS Name: ethanethioic acid S-propyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; S-propyl ethanethioate Traditional Name: ethanethioic acid S-propyl ester citrate Formula: C11H15O8S-3 MolecularWeight: 307.297

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCSC(=O)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H8O7.C5H10OS/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-4-7-5(2)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4H2,1-2H3/p-3