cyclohexyl 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: cyclohexyl 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: cyclohexyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxyacetic acid cyclohexyl ester Formula: C27H29ClO5 MolecularWeight: 468.96916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OC4CCCCC4

InChI

InChI=1S/C27H29ClO5/c1-27(2,3)18-11-9-17(10-12-18)25-26(24(30)21-15-19(28)13-14-22(21)33-25)31-16-23(29)32-20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3