[1-(dimethylamino)-3-thiocyanato-propan-2-yl] thiocyanate; ethanedioic acid

Systemtic Name: [1-(dimethylamino)-3-thiocyanato-propan-2-yl] thiocyanate; ethanedioic acid Openeye Name: [1-(dimethylaminomethyl)-2-thiocyanato-ethyl] thiocyanate; oxalic acid CAS Name: oxalic acid; thiocyanic acid [1-(dimethylamino)-3-thiocyanatopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-3-thiocyanatopropan-2-yl] thiocyanate; oxalic acid Traditional Name: oxalic acid; thiocyanic acid [1-(dimethylaminomethyl)-2-thiocyanato-ethyl] ester Formula: C9H13N3O4S2 MolecularWeight: 291.34722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSC#N)SC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CC(CSC#N)SC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C7H11N3S2.C2H2O4/c1-10(2)3-7(12-6-9)4-11-5-8;3-1(4)2(5)6/h7H,3-4H2,1-2H3;(H,3,4)(H,5,6)