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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C(CC)O)O

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2[C@H](CC)O)O

InChI

InChI=1S/C21H26O6/c1-5-7-15(23)18-19(25)12(9-8-11(3)4)21-17(20(18)26)13(14(22)6-2)10-16(24)27-21/h8,10,14,22,25-26H,5-7,9H2,1-4H3/t14-/m0/s1