[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 4-bromanylbenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 4-bromanylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H22BrClO4 MolecularWeight: 525.81818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C27H22BrClO4/c1-15-13-22-20(14-21(15)29)23(30)25(33-26(31)17-7-11-19(28)12-8-17)24(32-22)16-5-9-18(10-6-16)27(2,3)4/h5-14H,1-4H3