3-hexyl-4,8-dimethyl-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-(3-oxobutan-2-yloxy)-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-hexyl-7-(2-keto-1-methyl-propoxy)-4,8-dimethyl-coumarin Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)C)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)C)C)OC1=O)C

InChI

InChI=1S/C21H28O4/c1-6-7-8-9-10-18-13(2)17-11-12-19(24-16(5)15(4)22)14(3)20(17)25-21(18)23/h11-12,16H,6-10H2,1-5H3