3-hexyl-4,8-dimethyl-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-(2-methylallyloxy)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/c1-6-7-8-9-10-18-15(4)17-11-12-19(23-13-14(2)3)16(5)20(17)24-21(18)22/h11-12H,2,6-10,13H2,1,3-5H3