methyl 6-oxidanyl-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate

Systemtic Name: methyl 6-oxidanyl-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate Openeye Name: methyl 6-hydroxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate CAS Name: 6-hydroxy-2,2-bis[3-(trifluoromethyl)phenyl]-5-benzo[h][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate Traditional Name: 6-hydroxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylic acid methyl ester Formula: C29H18F6O4 MolecularWeight: 544.441239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C3=C1C=CC(O3)(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C3=C1C=CC(O3)(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C29H18F6O4/c1-38-26(37)23-22-12-13-27(16-6-4-8-18(14-16)28(30,31)32,17-7-5-9-19(15-17)29(33,34)35)39-25(22)21-11-3-2-10-20(21)24(23)36/h2-15,36H,1H3