3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one Traditional Name: 3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)coumarin Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-5-6-7-8-9-19-16(4)18-11-10-17(23-13-12-15(2)3)14-20(18)24-21(19)22/h10-12,14H,5-9,13H2,1-4H3