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

Systemtic Name: methyl 6-acetyloxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate Openeye Name: methyl 6-acetoxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate CAS Name: 6-acetyloxy-2,2-bis[3-(trifluoromethyl)phenyl]-5-benzo[h][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 6-acetyloxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate Traditional Name: 6-acetoxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylic acid methyl ester Formula: C31H20F6O5 MolecularWeight: 586.477919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C3=CC=CC=C31)OC(C=C2)(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(C2=C(C3=CC=CC=C31)OC(C=C2)(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C31H20F6O5/c1-17(38)41-27-23-12-4-3-11-22(23)26-24(25(27)28(39)40-2)13-14-29(42-26,18-7-5-9-20(15-18)30(32,33)34)19-8-6-10-21(16-19)31(35,36)37/h3-16H,1-2H3