[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-[(4-nitrophenyl)methyl]-oxidanyl-sulfanium

Systemtic Name: [4,6-bis(trifluoromethyl)pyrimidin-2-yl]-[(4-nitrophenyl)methyl]-oxidanyl-sulfanium Openeye Name: [4,6-bis(trifluoromethyl)pyrimidin-2-yl]-hydroxy-[(4-nitrophenyl)methyl]sulfonium CAS Name: [4,6-bis(trifluoromethyl)-2-pyrimidinyl]-hydroxy-[(4-nitrophenyl)methyl]sulfonium IUPAC Name: [4,6-bis(trifluoromethyl)pyrimidin-2-yl]-hydroxy-[(4-nitrophenyl)methyl]sulfanium Traditional Name: [4,6-bis(trifluoromethyl)pyrimidin-2-yl]-hydroxy-(4-nitrobenzyl)sulfonium Formula: C13H8F6N3O3S+ MolecularWeight: 400.276339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[S+](C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[S+](C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8F6N3O3S/c14-12(15,16)9-5-10(13(17,18)19)21-11(20-9)26(25)6-7-1-3-8(4-2-7)22(23)24/h1-5,25H,6H2/q+1