4-butyl-6-chloranyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-4-butyl-6-chloro-chromen-2-one CAS Name: 4-butyl-6-chloro-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-4-butyl-6-chloro-coumarin Formula: C16H17ClO4 MolecularWeight: 308.75678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClO4/c1-3-4-5-11-6-16(19)21-14-8-15(20-9-10(2)18)13(17)7-12(11)14/h6-8H,3-5,9H2,1-2H3