3-[2-(3-chloranylpropyl)phenyl]-3-methyl-2-benzofuran-1-one

Systemtic Name: 3-[2-(3-chloranylpropyl)phenyl]-3-methyl-2-benzofuran-1-one Openeye Name: 3-[2-(3-chloropropyl)phenyl]-3-methyl-isobenzofuran-1-one CAS Name: 3-[2-(3-chloropropyl)phenyl]-3-methyl-1-isobenzofuranone IUPAC Name: 3-[2-(3-chloropropyl)phenyl]-3-methyl-2-benzofuran-1-one Traditional Name: 3-[2-(3-chloropropyl)phenyl]-3-methyl-phthalide Formula: C18H17ClO2 MolecularWeight: 300.77938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3CCCCl

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3CCCCl

InChI

InChI=1S/C18H17ClO2/c1-18(15-10-4-2-7-13(15)8-6-12-19)16-11-5-3-9-14(16)17(20)21-18/h2-5,7,9-11H,6,8,12H2,1H3