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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] benzoate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H29F3O5 MolecularWeight: 538.55417

Click to see the large picture

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=CC=C4

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=CC=C4

InChI

InChI=1S/C31H29F3O5/c1-4-5-6-8-13-22-17-24-26(18-25(22)39-30(36)21-11-9-7-10-12-21)38-29(31(32,33)34)28(27(24)35)37-23-15-19(2)14-20(3)16-23/h7,9-12,14-18H,4-6,8,13H2,1-3H3