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

Systemtic Name: 6-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-propyl-chromen-2-one Openeye Name: 6-chloro-7-(3,3-dimethyl-2-oxo-butoxy)-4-propyl-chromen-2-one CAS Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-propyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-propylchromen-2-one Traditional Name: 6-chloro-7-(2-keto-3,3-dimethyl-butoxy)-4-propyl-coumarin Formula: C18H21ClO4 MolecularWeight: 336.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H21ClO4/c1-5-6-11-7-17(21)23-14-9-15(13(19)8-12(11)14)22-10-16(20)18(2,3)4/h7-9H,5-6,10H2,1-4H3