(3-phenoxyphenyl)methyl 5,5-bis(bromanyl)-2-ethynyl-2-propan-2-yl-pent-4-enoate

Systemtic Name: (3-phenoxyphenyl)methyl 5,5-bis(bromanyl)-2-ethynyl-2-propan-2-yl-pent-4-enoate Openeye Name: (3-phenoxyphenyl)methyl 5,5-dibromo-2-ethynyl-2-isopropyl-pent-4-enoate CAS Name: 5,5-dibromo-2-ethynyl-2-propan-2-yl-4-pentenoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 5,5-dibromo-2-ethynyl-2-propan-2-ylpent-4-enoate Traditional Name: 5,5-dibromo-2-ethynyl-2-isopropyl-pent-4-enoic acid (3-phenoxybenzyl) ester Formula: C23H22Br2O3 MolecularWeight: 506.22698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC=C(Br)Br)(C#C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CC=C(Br)Br)(C#C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C23H22Br2O3/c1-4-23(17(2)3,14-13-21(24)25)22(26)27-16-18-9-8-12-20(15-18)28-19-10-6-5-7-11-19/h1,5-13,15,17H,14,16H2,2-3H3