2-chloranyl-N,N-bis(2-chloroethyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-chloranyl-N,N-bis(2-chloroethyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: 2-chloro-N,N-bis(2-chloroethyl)ethanamine; picric acid CAS Name: 2-chloro-N,N-bis(2-chloroethyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-chloro-N,N-bis(2-chloroethyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: picric acid; tris(2-chloroethyl)amine Formula: C12H15Cl3N4O7 MolecularWeight: 433.6291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C(CCl)N(CCCl)CCCl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C(CCl)N(CCCl)CCCl

InChI

InChI=1S/C6H12Cl3N.C6H3N3O7/c7-1-4-10(5-2-8)6-3-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6H2;1-2,10H