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

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-3,4,7-trimethyl-chromen-2-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butoxy)-3,4,7-trimethyl-chromen-2-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one IUPAC Name: 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethylchromen-2-one Traditional Name: 5-(2-keto-3,3-dimethyl-butoxy)-3,4,7-trimethyl-coumarin Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4/c1-10-7-13(21-9-15(19)18(4,5)6)16-11(2)12(3)17(20)22-14(16)8-10/h7-8H,9H2,1-6H3