2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3H-chromen-4-one

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3H-chromen-4-one Openeye Name: 5-benzyloxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-one CAS Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3H-chromen-4-one Traditional Name: 5-benzoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-one Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=O)CC(O2)(C)C)C(=C1)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=O)CC(O2)(C)C)C(=C1)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36O3/c1-6-7-8-12-15-26(2,3)21-16-23(29-19-20-13-10-9-11-14-20)25-22(28)18-27(4,5)30-24(25)17-21/h9-11,13-14,16-17H,6-8,12,15,18-19H2,1-5H3