5-(hydroxymethyl)-2,2-dimethyl-3-(3-oxidanylidenebutyl)-7-(2-phenylpentoxy)-3H-chromen-4-one

Systemtic Name: 5-(hydroxymethyl)-2,2-dimethyl-3-(3-oxidanylidenebutyl)-7-(2-phenylpentoxy)-3H-chromen-4-one Openeye Name: 5-(hydroxymethyl)-2,2-dimethyl-3-(3-oxobutyl)-7-(2-phenylpentoxy)chroman-4-one CAS Name: 5-(hydroxymethyl)-2,2-dimethyl-3-(3-oxobutyl)-7-(2-phenylpentoxy)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 5-(hydroxymethyl)-2,2-dimethyl-3-(3-oxobutyl)-7-(2-phenylpentoxy)-3H-chromen-4-one Traditional Name: 3-(3-ketobutyl)-2,2-dimethyl-5-methylol-7-(2-phenylpentoxy)chroman-4-one Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC1=CC2=C(C(=C1)CO)C(=O)C(C(O2)(C)C)CCC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(COC1=CC2=C(C(=C1)CO)C(=O)C(C(O2)(C)C)CCC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C27H34O5/c1-5-9-20(19-10-7-6-8-11-19)17-31-22-14-21(16-28)25-24(15-22)32-27(3,4)23(26(25)30)13-12-18(2)29/h6-8,10-11,14-15,20,23,28H,5,9,12-13,16-17H2,1-4H3