4-chloranyl-3-(2-methylpropoxy)isochromen-1-one

Systemtic Name: 4-chloranyl-3-(2-methylpropoxy)isochromen-1-one Openeye Name: 4-chloro-3-isobutoxy-isochromen-1-one CAS Name: 4-chloro-3-(2-methylpropoxy)-2-benzopyran-1-one IUPAC Name: 4-chloro-3-(2-methylpropoxy)isochromen-1-one Traditional Name: 4-chloro-3-isobutoxy-isocoumarin Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C2=CC=CC=C2C(=O)O1)Cl

Isomeric SMILES

CC(C)COC1=C(C2=CC=CC=C2C(=O)O1)Cl

InChI

InChI=1S/C13H13ClO3/c1-8(2)7-16-13-11(14)9-5-3-4-6-10(9)12(15)17-13/h3-6,8H,7H2,1-2H3