2-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanethioic S-acid

Systemtic Name: 2-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanethioic S-acid Openeye Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanethioic S-acid CAS Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanethioic S-acid IUPAC Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanethioic S-acid Traditional Name: 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]thiopropionic acid Formula: C16H11ClF3NO5S MolecularWeight: 421.77545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)S)OC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)S)OC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClF3NO5S/c1-8(15(22)27)25-14-5-3-10(7-12(14)21(23)24)26-13-4-2-9(6-11(13)17)16(18,19)20/h2-8H,1H3,(H,22,27)