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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1C(=O)C2=C(C=C(C=C2CO)OCCCCCC3=CC=CC=C3)OC1(C)C

Isomeric SMILES

CC(=O)CCC1C(=O)C2=C(C=C(C=C2CO)OCCCCCC3=CC=CC=C3)OC1(C)C

InChI

InChI=1S/C27H34O5/c1-19(29)13-14-23-26(30)25-21(18-28)16-22(17-24(25)32-27(23,2)3)31-15-9-5-8-12-20-10-6-4-7-11-20/h4,6-7,10-11,16-17,23,28H,5,8-9,12-15,18H2,1-3H3