[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H27F3O5S MolecularWeight: 544.58189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OC(=O)C4=CC=CS4

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OC(=O)C4=CC=CS4

InChI

InChI=1S/C29H27F3O5S/c1-4-5-6-7-9-19-15-21-23(16-22(19)37-28(34)24-10-8-11-38-24)36-27(29(30,31)32)26(25(21)33)35-20-13-17(2)12-18(3)14-20/h8,10-16H,4-7,9H2,1-3H3