N,N-bis(2-chloroethyl)-2-methyl-propan-2-amine oxide; 2,4,6-trinitrophenol

Systemtic Name: N,N-bis(2-chloroethyl)-2-methyl-propan-2-amine oxide; 2,4,6-trinitrophenol Openeye Name: N,N-bis(2-chloroethyl)-2-methyl-propan-2-amine oxide; picric acid CAS Name: N,N-bis(2-chloroethyl)-2-methyl-2-propanamine oxide; 2,4,6-trinitrophenol IUPAC Name: N,N-bis(2-chloroethyl)-2-methylpropan-2-amine oxide; 2,4,6-trinitrophenol Traditional Name: N,N-bis(2-chloroethyl)-2-methyl-propan-2-amine oxide; picric acid Formula: C14H20Cl2N4O8 MolecularWeight: 443.2366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17Cl2NO.C6H3N3O7/c1-8(2,3)11(12,6-4-9)7-5-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H2,1-3H3;1-2,10H