3-tert-butyl-4-methyl-isochromen-1-one

Systemtic Name: 3-tert-butyl-4-methyl-isochromen-1-one Openeye Name: 3-tert-butyl-4-methyl-isochromen-1-one CAS Name: 3-tert-butyl-4-methyl-2-benzopyran-1-one IUPAC Name: 3-tert-butyl-4-methylisochromen-1-one Traditional Name: 3-tert-butyl-4-methyl-isocoumarin Formula: C14H16O2 MolecularWeight: 216.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)C2=CC=CC=C12)C(C)(C)C

Isomeric SMILES

CC1=C(OC(=O)C2=CC=CC=C12)C(C)(C)C

InChI

InChI=1S/C14H16O2/c1-9-10-7-5-6-8-11(10)13(15)16-12(9)14(2,3)4/h5-8H,1-4H3