3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide; ethanedioate; tetrahydrate

Systemtic Name: 3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide; ethanedioate; tetrahydrate Openeye Name: 3-chloro-N,N-bis(2-chloroethyl)propanamidine; oxalate; tetrahydrate CAS Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalate; tetrahydrate IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide; oxalate; tetrahydrate Traditional Name: 3-chloro-N,N-bis(2-chloroethyl)propionamidine; oxalate; tetrahydrate Formula: C16H34Cl6N4O8-2 MolecularWeight: 623.18116

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)C(=N)N(CCCl)CCCl.C(CCl)C(=N)N(CCCl)CCCl.C(=O)(C(=O)[O-])[O-].O.O.O.O

Isomeric SMILES

C(CCl)C(=N)N(CCCl)CCCl.C(CCl)C(=N)N(CCCl)CCCl.C(=O)(C(=O)[O-])[O-].O.O.O.O

InChI

InChI=1S/2C7H13Cl3N2.C2H2O4.4H2O/c2*8-2-1-7(11)12(5-3-9)6-4-10;3-1(4)2(5)6;;;;/h2*11H,1-6H2;(H,3,4)(H,5,6);4*1H2/p-2