3-(3,5-dimethylphenoxy)-6-hexyl-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-benzyloxy-3-(3,5-dimethylphenoxy)-6-hexyl-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-phenylmethoxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-benzoxy-3-(3,5-dimethylphenoxy)-6-hexyl-2-(trifluoromethyl)chromone Formula: C31H31F3O4 MolecularWeight: 524.57065

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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)OCC4=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)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31F3O4/c1-4-5-6-10-13-23-17-25-27(18-26(23)36-19-22-11-8-7-9-12-22)38-30(31(32,33)34)29(28(25)35)37-24-15-20(2)14-21(3)16-24/h7-9,11-12,14-18H,4-6,10,13,19H2,1-3H3