[2-[[[2-acetyloxy-3,5-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-4,6-dimethyl-phenyl] ethanoate; 2,4,6-trinitrophenol

Systemtic Name: [2-[[[2-acetyloxy-3,5-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-4,6-dimethyl-phenyl] ethanoate; 2,4,6-trinitrophenol Openeye Name: [2-[[(2-acetoxy-3,5-dichloro-phenyl)methyl-methyl-amino]methyl]-4,6-dimethyl-phenyl] acetate; picric acid CAS Name: acetic acid [2-[[(2-acetyloxy-3,5-dichlorophenyl)methyl-methylamino]methyl]-4,6-dimethylphenyl] ester; 2,4,6-trinitrophenol IUPAC Name: [2-[[(2-acetyloxy-3,5-dichlorophenyl)methyl-methylamino]methyl]-4,6-dimethylphenyl] acetate; 2,4,6-trinitrophenol Traditional Name: acetic acid [2-[[(2-acetoxy-3,5-dichloro-benzyl)-methyl-amino]methyl]-4,6-dimethyl-phenyl] ester; picric acid Formula: C27H26Cl2N4O11 MolecularWeight: 653.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(C)CC2=CC(=CC(=C2OC(=O)C)Cl)Cl)OC(=O)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(C)CC2=CC(=CC(=C2OC(=O)C)Cl)Cl)OC(=O)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23Cl2NO4.C6H3N3O7/c1-12-6-13(2)20(27-14(3)25)16(7-12)10-24(5)11-17-8-18(22)9-19(23)21(17)28-15(4)26;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9H,10-11H2,1-5H3;1-2,10H