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

Systemtic Name: 3-butyl-4-chloranyl-isochromen-1-one Openeye Name: 3-butyl-4-chloro-isochromen-1-one CAS Name: 3-butyl-4-chloro-2-benzopyran-1-one IUPAC Name: 3-butyl-4-chloroisochromen-1-one Traditional Name: 3-butyl-4-chloro-isocoumarin Formula: C13H13ClO2 MolecularWeight: 236.69412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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