3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydrochromen-4-one

Systemtic Name: 3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydrochromen-4-one Openeye Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydrochromen-4-one CAS Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydro-1-benzopyran-4-one IUPAC Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydrochromen-4-one Traditional Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]-2-methyl-2,3,4a,5-tetrahydrochromen-4-one Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2C(OC3=CC=CCC3C2=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2C(OC3=CC=CCC3C2=O)C

InChI

InChI=1S/C25H32O5/c1-4-9-20-22(14-13-18(16(2)26)24(20)27)29-15-8-7-10-19-17(3)30-23-12-6-5-11-21(23)25(19)28/h5-6,12-14,17,19,21,27H,4,7-11,15H2,1-3H3