sodium [2,4-bis(trifluoromethyl)phenyl]carbonyl-[(E)-2-pyridin-3-ylethenyl]sulfonyl-azanide

Systemtic Name: sodium [2,4-bis(trifluoromethyl)phenyl]carbonyl-[(E)-2-pyridin-3-ylethenyl]sulfonyl-azanide Openeye Name: sodium [2,4-bis(trifluoromethyl)benzoyl]-[(E)-2-(3-pyridyl)vinyl]sulfonyl-azanide CAS Name: sodium [[2,4-bis(trifluoromethyl)phenyl]-oxomethyl]-[(E)-2-(3-pyridinyl)ethenyl]sulfonylazanide IUPAC Name: sodium [2,4-bis(trifluoromethyl)benzoyl]-[(E)-2-pyridin-3-ylethenyl]sulfonylazanide Traditional Name: sodium [2,4-bis(trifluoromethyl)benzoyl]-[(E)-2-(3-pyridyl)vinyl]sulfonyl-azanide Formula: C16H9F6N2NaO3S MolecularWeight: 446.299449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=CS(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)/C=C/S(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F.[Na+]

InChI

InChI=1S/C16H10F6N2O3S.Na/c17-15(18,19)11-3-4-12(13(8-11)16(20,21)22)14(25)24-28(26,27)7-5-10-2-1-6-23-9-10;/h1-9H,(H,24,25);/q;+1/p-1/b7-5+;