ethyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoate

Systemtic Name: ethyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoate Openeye Name: ethyl 2-(6-chloro-3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: 2-[(6-chloro-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-(6-chloro-3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: 2-(6-chloro-3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropionic acid ethyl ester Formula: C21H27ClO5 MolecularWeight: 394.88908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClO5/c1-5-7-8-9-10-15-13(3)16-11-17(22)19(12-18(16)27-21(15)24)26-14(4)20(23)25-6-2/h11-12,14H,5-10H2,1-4H3