[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] naphthalene-1-carboxylate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] naphthalene-1-carboxylate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H18ClF3O5 MolecularWeight: 538.89843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C29H18ClF3O5/c1-15-12-19(13-16(2)24(15)30)36-26-25(34)22-11-10-18(14-23(22)38-27(26)29(31,32)33)37-28(35)21-9-5-7-17-6-3-4-8-20(17)21/h3-14H,1-2H3