ethyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-phenyl-ethanoate

Systemtic Name: ethyl 2-(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-phenyl-ethanoate Openeye Name: ethyl 2-(6-chloro-3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxy-2-phenyl-acetate CAS Name: 2-[(6-chloro-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(6-chloro-3-hexyl-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate Traditional Name: 2-(6-chloro-3-hexyl-2-keto-4-methyl-chromen-7-yl)oxy-2-phenyl-acetic acid ethyl ester Formula: C26H29ClO5 MolecularWeight: 456.95846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC(C3=CC=CC=C3)C(=O)OCC)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC(C3=CC=CC=C3)C(=O)OCC)Cl)C

InChI

InChI=1S/C26H29ClO5/c1-4-6-7-11-14-19-17(3)20-15-21(27)23(16-22(20)32-25(19)28)31-24(26(29)30-5-2)18-12-9-8-10-13-18/h8-10,12-13,15-16,24H,4-7,11,14H2,1-3H3