2-oxidanylpropane-1,2,3-tricarboxylate; 1-propan-2-ylthiourea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-propan-2-ylthiourea Openeye Name: isopropylthiourea citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; propan-2-ylthiourea IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; propan-2-ylthiourea Traditional Name: isopropylthiourea citrate Formula: C10H15N2O7S-3 MolecularWeight: 307.3003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C)NC(=S)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H8O7.C4H10N2S/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)6-4(5)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1-2H3,(H3,5,6,7)/p-3