3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]prop-2-yn-1-ol

Systemtic Name: 3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]prop-2-yn-1-ol Openeye Name: 3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]prop-2-yn-1-ol CAS Name: 3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]-2-propyn-1-ol IUPAC Name: 3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]prop-2-yn-1-ol Traditional Name: 3-[2-[3-[4-nitro-3-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]prop-2-yn-1-ol Formula: C19H12F3NO4 MolecularWeight: 375.29809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CCO)C#CCOC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#CCO)C#CCOC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H12F3NO4/c20-19(21,22)17-13-16(9-10-18(17)23(25)26)27-12-4-8-15-6-2-1-5-14(15)7-3-11-24/h1-2,5-6,9-10,13,24H,11-12H2