6-chloranyl-7-(4-iodanyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-iodanyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-iodo-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(4-iodo-2-methylphenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-iodo-2-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-iodo-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H11ClF3IO4 MolecularWeight: 510.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)I)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C18H11ClF3IO4/c1-8-4-10(23)2-3-13(8)26-15-7-14-9(6-12(15)19)5-11(17(24)25)16(27-14)18(20,21)22/h2-7,16H,1H3,(H,24,25)