[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-oxidanylidene-prop-2-ynoxy-phosphanium

Systemtic Name: [5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-oxidanylidene-prop-2-ynoxy-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-oxo-prop-2-ynoxy-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-oxo-prop-2-ynoxyphosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitrophenyl]-oxo-prop-2-ynoxyphosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-4-ethyl-2-nitro-phenyl]-keto-propargyloxy-phosphonium Formula: C18H13ClF3NO5P+ MolecularWeight: 446.721491

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)[P+](=O)OCC#C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(F)(F)F)Cl)[P+](=O)OCC#C)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClF3NO5P/c1-3-7-27-29(26)17-10-16(11(4-2)8-14(17)23(24)25)28-15-6-5-12(9-13(15)19)18(20,21)22/h1,5-6,8-10H,4,7H2,2H3/q+1