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

Systemtic Name: 7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 7-(1,1-dimethylpentyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 7-(2-methylhexan-2-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 7-(1,1-dimethylpentyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H21F3O3 MolecularWeight: 342.35275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC2=C(C=C1)C=C(C(O2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCC(C)(C)C1=CC2=C(C=C1)C=C(C(O2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H21F3O3/c1-4-5-8-17(2,3)12-7-6-11-9-13(16(22)23)15(18(19,20)21)24-14(11)10-12/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,22,23)