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

Systemtic Name: ethyl 2-[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-[2-[(E)-styryl]pyridin-1-ium-1-yl]acetate; picric acid CAS Name: 2-[2-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]acetic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]acetate; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-[2-[(E)-styryl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C23H21N4O9+ MolecularWeight: 497.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC=C1C=CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC=C1/C=C/C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18NO2.C6H3N3O7/c1-2-20-17(19)14-18-13-7-6-10-16(18)12-11-15-8-4-3-5-9-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-13H,2,14H2,1H3;1-2,10H/q+1;/b12-11+;