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

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-methyl-chromen-2-one Openeye Name: 7-(3,3-dimethyl-2-oxo-butoxy)-4-methyl-chromen-2-one CAS Name: 7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-(3,3-dimethyl-2-oxobutoxy)-4-methylchromen-2-one Traditional Name: 7-(2-keto-3,3-dimethyl-butoxy)-4-methyl-coumarin Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(C)(C)C

InChI

InChI=1S/C16H18O4/c1-10-7-15(18)20-13-8-11(5-6-12(10)13)19-9-14(17)16(2,3)4/h5-8H,9H2,1-4H3