6-chloranyl-3-hexyl-4-methyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-6-chloro-3-hexyl-4-methyl-chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-6-chloro-3-hexyl-4-methyl-coumarin Formula: C19H23ClO4 MolecularWeight: 350.83652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)C)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)C)Cl)C

InChI

InChI=1S/C19H23ClO4/c1-4-5-6-7-8-14-13(3)15-9-16(20)18(23-11-12(2)21)10-17(15)24-19(14)22/h9-10H,4-8,11H2,1-3H3