8-butanoyl-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-(1-oxidanylpropyl)chromen-2-one

Systemtic Name: 8-butanoyl-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-(1-oxidanylpropyl)chromen-2-one Openeye Name: 8-butanoyl-5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-enyl)chromen-2-one CAS Name: 5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-enyl)-8-(1-oxobutyl)-1-benzopyran-2-one IUPAC Name: 8-butanoyl-5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-enyl)chromen-2-one Traditional Name: 8-butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-enyl)coumarin Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)C)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)C)O

InChI

InChI=1S/C21H26O6/c1-5-7-15(23)18-20(26)12(9-8-11(3)4)19(25)17-13(14(22)6-2)10-16(24)27-21(17)18/h8,10,14,22,25-26H,5-7,9H2,1-4H3