3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide; ethanedioic acid; trihydrate

Systemtic Name: 3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide; ethanedioic acid; trihydrate Openeye Name: 3-chloro-N,N-bis(2-chloroethyl)propanamidine; oxalic acid; trihydrate CAS Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalic acid; trihydrate IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalic acid; trihydrate Traditional Name: 3-chloro-N,N-bis(2-chloroethyl)propionamidine; oxalic acid; trihydrate Formula: C9H21Cl3N2O7 MolecularWeight: 375.63124

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)C(=N)N(CCCl)CCCl.C(=O)(C(=O)O)O.O.O.O

Isomeric SMILES

C(CCl)C(=N)N(CCCl)CCCl.C(=O)(C(=O)O)O.O.O.O

InChI

InChI=1S/C7H13Cl3N2.C2H2O4.3H2O/c8-2-1-7(11)12(5-3-9)6-4-10;3-1(4)2(5)6;;;/h11H,1-6H2;(H,3,4)(H,5,6);3*1H2