6-chloranyl-3-hexyl-4-methyl-7-[(2R)-3-oxidanylidenebutan-2-yl]oxy-chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-[(2R)-3-oxidanylidenebutan-2-yl]oxy-chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-[(1R)-1-methyl-2-oxo-propoxy]chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-[(2R)-3-oxobutan-2-yl]oxy-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-[(2R)-3-oxobutan-2-yl]oxychromen-2-one Traditional Name: 6-chloro-3-hexyl-7-[(1R)-2-keto-1-methyl-propoxy]-4-methyl-coumarin Formula: C20H25ClO4 MolecularWeight: 364.8631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC(C)C(=O)C)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)O[C@H](C)C(=O)C)Cl)C

InChI

InChI=1S/C20H25ClO4/c1-5-6-7-8-9-15-12(2)16-10-17(21)19(24-14(4)13(3)22)11-18(16)25-20(15)23/h10-11,14H,5-9H2,1-4H3/t14-/m1/s1