sodium 3-[7-fluoranyl-2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate

Systemtic Name: sodium 3-[7-fluoranyl-2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Openeye Name: sodium 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate CAS Name: sodium 3-[7-fluoro-2-(trifluoromethyl)-10-phenothiazinyl]propyl sulfate IUPAC Name: sodium 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Traditional Name: sodium 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Formula: C16H12F4NNaO4S2 MolecularWeight: 445.384163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N(C3=C(S2)C=C(C=C3)F)CCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N(C3=C(S2)C=C(C=C3)F)CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H13F4NO4S2.Na/c17-11-3-4-12-15(9-11)26-14-5-2-10(16(18,19)20)8-13(14)21(12)6-1-7-25-27(22,23)24;/h2-5,8-9H,1,6-7H2,(H,22,23,24);/q;+1/p-1