1-[7-butanoyl-2-methyl-4,6-bis(oxidanyl)-2,3-dihydro-1-benzofuran-5-yl]butan-1-one

Systemtic Name: 1-[7-butanoyl-2-methyl-4,6-bis(oxidanyl)-2,3-dihydro-1-benzofuran-5-yl]butan-1-one Openeye Name: 1-(7-butanoyl-4,6-dihydroxy-2-methyl-2,3-dihydrobenzofuran-5-yl)butan-1-one CAS Name: 1-[4,6-dihydroxy-2-methyl-7-(1-oxobutyl)-2,3-dihydrobenzofuran-5-yl]-1-butanone IUPAC Name: 1-(7-butanoyl-4,6-dihydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-one Traditional Name: 1-(7-butyryl-4,6-dihydroxy-2-methyl-coumaran-5-yl)butan-1-one Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C2C(=C1O)CC(O2)C)C(=O)CCC)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C2C(=C1O)CC(O2)C)C(=O)CCC)O

InChI

InChI=1S/C17H22O5/c1-4-6-11(18)13-15(20)10-8-9(3)22-17(10)14(16(13)21)12(19)7-5-2/h9,20-21H,4-8H2,1-3H3