4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: 4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: 4,6-bis[(E)-styryl]benzene-1,3-diamine; picric acid CAS Name: 4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: 4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: [5-amino-2,4-bis[(E)-styryl]phenyl]amine; picric acid Formula: C34H26N8O14 MolecularWeight: 770.61544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC(=C(C=C2N)N)C=CC3=CC=CC=C3.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=C/C2=CC(=C(C=C2N)N)/C=C/C3=CC=CC=C3.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/C22H20N2.2C6H3N3O7/c23-21-16-22(24)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-16H,23-24H2;2*1-2,10H/b13-11+,14-12+;;