butyl 4-azanylbenzoate; 2,4,6-trinitrophenol

Systemtic Name: butyl 4-azanylbenzoate; 2,4,6-trinitrophenol Openeye Name: butyl 4-aminobenzoate; picric acid CAS Name: 4-aminobenzoic acid butyl ester; 2,4,6-trinitrophenol IUPAC Name: butyl 4-aminobenzoate; 2,4,6-trinitrophenol Traditional Name: 4-aminobenzoic acid butyl ester; picric acid Formula: C28H33N5O11 MolecularWeight: 615.58852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H15NO2.C6H3N3O7/c2*1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2*4-7H,2-3,8,12H2,1H3;1-2,10H