5,5-dimethyl-4,4a,6,7-tetrahydro-1H-isochromen-3-one

Systemtic Name: 5,5-dimethyl-4,4a,6,7-tetrahydro-1H-isochromen-3-one Openeye Name: 5,5-dimethyl-4,4a,6,7-tetrahydro-1H-isochromen-3-one CAS Name: 5,5-dimethyl-4,4a,6,7-tetrahydro-1H-2-benzopyran-3-one IUPAC Name: 5,5-dimethyl-4,4a,6,7-tetrahydro-1H-isochromen-3-one Traditional Name: 5,5-dimethyl-4,4a,6,7-tetrahydro-1H-isochromen-3-one Formula: C11H16O2 MolecularWeight: 180.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=C2C1CC(=O)OC2)C

Isomeric SMILES

CC1(CCC=C2C1CC(=O)OC2)C

InChI

InChI=1S/C11H16O2/c1-11(2)5-3-4-8-7-13-10(12)6-9(8)11/h4,9H,3,5-7H2,1-2H3