4-butyl-6-chloranyl-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(2-methylallyloxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-methylallyloxy)coumarin Formula: C17H19ClO3 MolecularWeight: 306.78396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C

InChI

InChI=1S/C17H19ClO3/c1-4-5-6-12-7-17(19)21-15-9-16(20-10-11(2)3)14(18)8-13(12)15/h7-9H,2,4-6,10H2,1,3H3