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

Systemtic Name: 4-butyl-6-chloranyl-7-(3-methylbut-2-enoxy)chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(3-methylbut-2-enoxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-(3-methylbut-2-enoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(3-methylbut-2-enoxy)chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(3-methylbut-2-enoxy)coumarin Formula: C18H21ClO3 MolecularWeight: 320.81054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO3/c1-4-5-6-13-9-18(20)22-16-11-17(15(19)10-14(13)16)21-8-7-12(2)3/h7,9-11H,4-6,8H2,1-3H3