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

Systemtic Name: sodium 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Openeye Name: sodium 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate CAS Name: sodium 3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl sulfate IUPAC Name: sodium 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Traditional Name: sodium 3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl sulfate Formula: C16H13F3NNaO4S2 MolecularWeight: 427.3937

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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-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H14F3NO4S2.Na/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);/q;+1/p-1