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

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 2-bromanylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 2-bromobenzoate CAS Name: 2-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] 2-bromobenzoate Traditional Name: 2-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=CC=C4Br)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=CC=C4Br)C

InChI

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