6-chloranyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(1,1-dimethylpentyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(1,1-dimethylpentyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H20ClF3O3 MolecularWeight: 376.79781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=C(C=C2C=C(C(OC2=C1)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CCCCC(C)(C)C1=C(C=C2C=C(C(OC2=C1)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C18H20ClF3O3/c1-4-5-6-17(2,3)12-9-14-10(8-13(12)19)7-11(16(23)24)15(25-14)18(20,21)22/h7-9,15H,4-6H2,1-3H3,(H,23,24)