(4-oxidanylidene-3-phenyl-chromen-7-yl) 4-[2,6-bis(bromanyl)-4-tert-butyl-phenoxy]butanoate

Systemtic Name: (4-oxidanylidene-3-phenyl-chromen-7-yl) 4-[2,6-bis(bromanyl)-4-tert-butyl-phenoxy]butanoate Openeye Name: (4-oxo-3-phenyl-chromen-7-yl) 4-(2,6-dibromo-4-tert-butyl-phenoxy)butanoate CAS Name: 4-(2,6-dibromo-4-tert-butylphenoxy)butanoic acid (4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenylchromen-7-yl) 4-(2,6-dibromo-4-tert-butylphenoxy)butanoate Traditional Name: 4-(2,6-dibromo-4-tert-butyl-phenoxy)butyric acid (4-keto-3-phenyl-chromen-7-yl) ester Formula: C29H26Br2O5 MolecularWeight: 614.32174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Br)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Br)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H26Br2O5/c1-29(2,3)19-14-23(30)28(24(31)15-19)34-13-7-10-26(32)36-20-11-12-21-25(16-20)35-17-22(27(21)33)18-8-5-4-6-9-18/h4-6,8-9,11-12,14-17H,7,10,13H2,1-3H3