6-chloranyl-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(5-cyanopent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C17H11ClF3NO3 MolecularWeight: 369.72235

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1C=C(C(O2)C(F)(F)F)C(=O)O)C#CCCCC#N)Cl

Isomeric SMILES

C1=C(C=C(C2=C1C=C(C(O2)C(F)(F)F)C(=O)O)C#CCCCC#N)Cl

InChI

InChI=1S/C17H11ClF3NO3/c18-12-7-10(5-3-1-2-4-6-22)14-11(8-12)9-13(16(23)24)15(25-14)17(19,20)21/h7-9,15H,1-2,4H2,(H,23,24)