tert-butyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: tert-butyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: tert-butyl 2-(6-chloro-3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(6-chloro-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloro-3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(6-chloro-3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetic acid tert-butyl ester Formula: C22H29ClO5 MolecularWeight: 408.91566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)OC(C)(C)C)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)OC(C)(C)C)Cl)C

InChI

InChI=1S/C22H29ClO5/c1-6-7-8-9-10-15-14(2)16-11-17(23)19(12-18(16)27-21(15)25)26-13-20(24)28-22(3,4)5/h11-12H,6-10,13H2,1-5H3