3-butyl-4-chloranyl-5-methyl-isochromen-1-one

Systemtic Name: 3-butyl-4-chloranyl-5-methyl-isochromen-1-one Openeye Name: 3-butyl-4-chloro-5-methyl-isochromen-1-one CAS Name: 3-butyl-4-chloro-5-methyl-2-benzopyran-1-one IUPAC Name: 3-butyl-4-chloro-5-methylisochromen-1-one Traditional Name: 3-butyl-4-chloro-5-methyl-isocoumarin Formula: C14H15ClO2 MolecularWeight: 250.7207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2C)C(=O)O1)Cl

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2C)C(=O)O1)Cl

InChI

InChI=1S/C14H15ClO2/c1-3-4-8-11-13(15)12-9(2)6-5-7-10(12)14(16)17-11/h5-7H,3-4,8H2,1-2H3