6-chloranyl-3-hexyl-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 6-chloro-3-hexyl-4-methyl-7-(2-methylallyloxy)coumarin Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClO3/c1-5-6-7-8-9-15-14(4)16-10-17(21)19(23-12-13(2)3)11-18(16)24-20(15)22/h10-11H,2,5-9,12H2,1,3-4H3