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5-chloranyl-3-methyl-6,8-bis(oxidanyl)-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

5-chloranyl-3-methyl-6,8-bis(oxidanyl)-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

Systemtic Name:5-chloranyl-3-methyl-6,8-bis(oxidanyl)-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Openeye Name:5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)isochromane-7-carboxylic acid
CAS Name:5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
IUPAC Name:5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Traditional Name:5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)isochroman-7-carboxylic acid
Formula: C12H10ClF3O5
MolecularWeight: 326.65301
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(CO1)C(=C(C(=C2Cl)O)C(=O)O)O)C(F)(F)F


Isomeric SMILES

CC1C(C2=C(CO1)C(=C(C(=C2Cl)O)C(=O)O)O)C(F)(F)F


InChI

InChI=1S/C12H10ClF3O5/c1-3-7(12(14,15)16)5-4(2-21-3)9(17)6(11(19)20)10(18)8(5)13/h3,7,17-18H,2H2,1H3,(H,19,20)


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