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

Systemtic Name: 6-chloranyl-8-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C15H10ClF3O4 MolecularWeight: 346.68571

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=CC2=C1OC(C(=C2)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COCC#CC1=CC(=CC2=C1OC(C(=C2)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C15H10ClF3O4/c1-22-4-2-3-8-5-10(16)6-9-7-11(14(20)21)13(15(17,18)19)23-12(8)9/h5-7,13H,4H2,1H3,(H,20,21)