4-butyl-6-chloranyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-oxidanyl-chromen-2-one Openeye Name: 4-butyl-6-chloro-7-hydroxy-chromen-2-one CAS Name: 4-butyl-6-chloro-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-hydroxychromen-2-one Traditional Name: 4-butyl-6-chloro-7-hydroxy-coumarin Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO3/c1-2-3-4-8-5-13(16)17-12-7-11(15)10(14)6-9(8)12/h5-7,15H,2-4H2,1H3