3-butyl-4-chloranyl-chromen-2-one

Systemtic Name: 3-butyl-4-chloranyl-chromen-2-one Openeye Name: 3-butyl-4-chloro-chromen-2-one CAS Name: 3-butyl-4-chloro-1-benzopyran-2-one IUPAC Name: 3-butyl-4-chlorochromen-2-one Traditional Name: 3-butyl-4-chloro-coumarin Formula: C13H13ClO2 MolecularWeight: 236.69412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)Cl

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)Cl

InChI

InChI=1S/C13H13ClO2/c1-2-3-6-10-12(14)9-7-4-5-8-11(9)16-13(10)15/h4-5,7-8H,2-3,6H2,1H3