1-oxidanyl-3-phenylsulfanyl-pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-oxidanyl-3-phenylsulfanyl-pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-hydroxy-3-phenylsulfanyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-hydroxy-3-(phenylthio)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-hydroxy-3-phenylsulfanylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-hydroxy-3-(phenylthio)pyridin-1-ium picrate Formula: C17H12N4O8S MolecularWeight: 432.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C[N+](=CC=C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C[N+](=CC=C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10NOS.C6H3N3O7/c13-12-8-4-7-11(9-12)14-10-5-2-1-3-6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,13H;1-2,10H/q+1;/p-1