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

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-bromanylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C28H25BrO4 MolecularWeight: 505.3997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C28H25BrO4/c1-16-14-22-23(15-17(16)2)32-25(18-6-10-20(11-7-18)28(3,4)5)26(24(22)30)33-27(31)19-8-12-21(29)13-9-19/h6-15H,1-5H3