2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrophenol Openeye Name: 2-[bis(2-chloroethyl)amino]ethanol; picric acid CAS Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrophenol Traditional Name: 2-[bis(2-chloroethyl)amino]ethanol; picric acid Formula: C12H16Cl2N4O8 MolecularWeight: 415.18344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13Cl2NO.C6H3N3O7/c7-1-3-9(4-2-8)5-6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,1-6H2;1-2,10H