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

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-phenyl-chromen-2-one Openeye Name: 7-(3,3-dimethyl-2-oxo-butoxy)-4-phenyl-chromen-2-one CAS Name: 7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-(3,3-dimethyl-2-oxobutoxy)-4-phenylchromen-2-one Traditional Name: 7-(2-keto-3,3-dimethyl-butoxy)-4-phenyl-coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O4/c1-21(2,3)19(22)13-24-15-9-10-16-17(14-7-5-4-6-8-14)12-20(23)25-18(16)11-15/h4-12H,13H2,1-3H3