5,7-dimethyl-3-(3-oxidanylidenebutan-2-yl)isochromen-1-one

Systemtic Name: 5,7-dimethyl-3-(3-oxidanylidenebutan-2-yl)isochromen-1-one Openeye Name: 5,7-dimethyl-3-(1-methyl-2-oxo-propyl)isochromen-1-one CAS Name: 5,7-dimethyl-3-(3-oxobutan-2-yl)-2-benzopyran-1-one IUPAC Name: 5,7-dimethyl-3-(3-oxobutan-2-yl)isochromen-1-one Traditional Name: 3-(2-keto-1-methyl-propyl)-5,7-dimethyl-isocoumarin Formula: C15H16O3 MolecularWeight: 244.28574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(OC(=O)C2=C1)C(C)C(=O)C)C

Isomeric SMILES

CC1=CC(=C2C=C(OC(=O)C2=C1)C(C)C(=O)C)C

InChI

InChI=1S/C15H16O3/c1-8-5-9(2)12-7-14(10(3)11(4)16)18-15(17)13(12)6-8/h5-7,10H,1-4H3