(3S)-2,2-dimethyl-5-oxidanyl-3-(3-oxidanylidenebutyl)-7-pentyl-3H-chromen-4-one

Systemtic Name: (3S)-2,2-dimethyl-5-oxidanyl-3-(3-oxidanylidenebutyl)-7-pentyl-3H-chromen-4-one Openeye Name: (3S)-5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-chroman-4-one CAS Name: (3S)-5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-3H-chromen-4-one Traditional Name: (3S)-7-amyl-5-hydroxy-3-(3-ketobutyl)-2,2-dimethyl-chroman-4-one Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)O)C(=O)C(C(O2)(C)C)CCC(=O)C

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)O)C(=O)[C@H](C(O2)(C)C)CCC(=O)C

InChI

InChI=1S/C20H28O4/c1-5-6-7-8-14-11-16(22)18-17(12-14)24-20(3,4)15(19(18)23)10-9-13(2)21/h11-12,15,22H,5-10H2,1-4H3/t15-/m1/s1