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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC3=C(C(=C2)CO)C(=O)C(C(O3)(C)C)CCC(=O)C

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC3=C(C(=C2)CO)C(=O)C(C(O3)(C)C)CCC(=O)C

InChI

InChI=1S/C27H34O5/c1-18(29)13-14-23-26(30)25-21(17-28)15-22(16-24(25)32-27(23,3)4)31-19(2)9-8-12-20-10-6-5-7-11-20/h5-7,10-11,15-16,19,23,28H,8-9,12-14,17H2,1-4H3