2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanoic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanoic acid; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-[4-[(E)-styryl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]acetic acid; 2,4,6-trinitrophenol IUPAC Name: 2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]acetic acid; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-[4-[(E)-styryl]pyridin-1-ium-1-yl]acetic acid Formula: C21H17N4O9+ MolecularWeight: 469.38108

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H13NO2.C6H3N3O7/c17-15(18)12-16-10-8-14(9-11-16)7-6-13-4-2-1-3-5-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-11H,12H2;1-2,10H/p+1/b7-6+;