6,8-dimethyl-3-(2-oxidanylidenepropyl)isochromen-1-one

Systemtic Name: 6,8-dimethyl-3-(2-oxidanylidenepropyl)isochromen-1-one Openeye Name: 3-acetonyl-6,8-dimethyl-isochromen-1-one CAS Name: 6,8-dimethyl-3-(2-oxopropyl)-2-benzopyran-1-one IUPAC Name: 6,8-dimethyl-3-(2-oxopropyl)isochromen-1-one Traditional Name: 3-acetonyl-6,8-dimethyl-isocoumarin Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(OC2=O)CC(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(OC2=O)CC(=O)C)C

InChI

InChI=1S/C14H14O3/c1-8-4-9(2)13-11(5-8)7-12(6-10(3)15)17-14(13)16/h4-5,7H,6H2,1-3H3