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

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one Traditional Name: 6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)coumarin Formula: C21H27ClO3 MolecularWeight: 362.89028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClO3/c1-5-6-7-8-9-16-15(4)17-12-18(22)20(24-11-10-14(2)3)13-19(17)25-21(16)23/h10,12-13H,5-9,11H2,1-4H3