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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(C)(C)C

InChI

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