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

Systemtic Name: 3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide; ethanedioic acid; hydrate Openeye Name: 3-chloro-N,N-bis(2-chloroethyl)propanamidine; oxalic acid; hydrate CAS Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalic acid; hydrate IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalic acid; hydrate Traditional Name: 3-chloro-N,N-bis(2-chloroethyl)propionamidine; oxalic acid; hydrate Formula: C9H17Cl3N2O5 MolecularWeight: 339.60068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13Cl3N2.C2H2O4.H2O/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);1H2