3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate

Systemtic Name: 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate Openeye Name: 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate CAS Name: sulfuric acid 3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl ester IUPAC Name: 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate Traditional Name: sulfuric acid 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl ester Formula: C16H14F3NO4S2 MolecularWeight: 405.41187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCOS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCOS(=O)(=O)O

InChI

InChI=1S/C16H14F3NO4S2/c17-16(18,19)11-6-7-15-13(10-11)20(8-3-9-24-26(21,22)23)12-4-1-2-5-14(12)25-15/h1-2,4-7,10H,3,8-9H2,(H,21,22,23)