3-hexyl-4-methyl-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-(3-oxidanylidenebutan-2-yloxy)chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-(3-oxobutan-2-yloxy)-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-hexyl-7-(2-keto-1-methyl-propoxy)-4-methyl-coumarin Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O4/c1-5-6-7-8-9-18-13(2)17-11-10-16(23-15(4)14(3)21)12-19(17)24-20(18)22/h10-12,15H,5-9H2,1-4H3