1-oxidanyl-3-(phenylsulfanylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-oxidanyl-3-(phenylsulfanylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-hydroxy-3-(phenylsulfanylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-hydroxy-3-[(phenylthio)methyl]pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-hydroxy-3-(phenylsulfanylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-hydroxy-3-[(phenylthio)methyl]pyridin-1-ium picrate Formula: C18H14N4O8S MolecularWeight: 446.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=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)SCC2=C[N+](=CC=C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12NOS.C6H3N3O7/c14-13-8-4-5-11(9-13)10-15-12-6-2-1-3-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,14H,10H2;1-2,10H/q+1;/p-1