5-(3,3-dimethyl-2-oxidanylidene-butoxy)-7-methyl-4-phenyl-chromen-2-one

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-7-methyl-4-phenyl-chromen-2-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butoxy)-7-methyl-4-phenyl-chromen-2-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-phenyl-1-benzopyran-2-one IUPAC Name: 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-phenylchromen-2-one Traditional Name: 5-(2-keto-3,3-dimethyl-butoxy)-7-methyl-4-phenyl-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=O)C(C)(C)C

InChI

InChI=1S/C22H22O4/c1-14-10-17(25-13-19(23)22(2,3)4)21-16(15-8-6-5-7-9-15)12-20(24)26-18(21)11-14/h5-12H,13H2,1-4H3