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

Systemtic Name: 5-nitro-4,6-bis(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: 5-nitro-4,6-distyryl-benzene-1,3-diamine; picric acid CAS Name: 5-nitro-4,6-bis(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: 5-nitro-4,6-bis(2-phenylethenyl)benzene-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: (5-amino-3-nitro-2,4-distyryl-phenyl)amine; picric acid Formula: C34H25N9O16 MolecularWeight: 815.613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C(=C(C=C2N)N)C=CC3=CC=CC=C3)[N+](=O)[O-].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=C2N)N)C=CC3=CC=CC=C3)[N+](=O)[O-].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/C22H19N3O2.2C6H3N3O7/c23-20-15-21(24)19(14-12-17-9-5-2-6-10-17)22(25(26)27)18(20)13-11-16-7-3-1-4-8-16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15H,23-24H2;2*1-2,10H