4-(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: 4-(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: picric acid; 4-styrylbenzene-1,3-diamine CAS Name: 4-(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: 4-(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: (3-amino-4-styryl-phenyl)amine; picric acid Formula: C26H20N8O14 MolecularWeight: 668.4822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C=C(C=C2)N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=CC2=C(C=C(C=C2)N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2.2C6H3N3O7/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H,15-16H2;2*1-2,10H