[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C28H25ClO5 MolecularWeight: 476.9481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H25ClO5/c1-16-12-21(13-17(2)25(16)29)33-24-15-32-23-14-20(10-11-22(23)26(24)30)34-27(31)18-6-8-19(9-7-18)28(3,4)5/h6-15H,1-5H3