1-(3-phenoxyphenyl)prop-2-ynyl 3-[3,3-bis(bromanyl)-2-methyl-prop-2-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-[3,3-bis(bromanyl)-2-methyl-prop-2-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-(3,3-dibromo-2-methyl-allyl)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-(3,3-dibromo-2-methylprop-2-enyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-(3,3-dibromo-2-methylprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-(3,3-dibromo-2-methyl-allyl)-2,2-dimethyl-cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester Formula: C25H24Br2O3 MolecularWeight: 532.26426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(Br)Br)CC1C(C1(C)C)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=C(Br)Br)CC1C(C1(C)C)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H24Br2O3/c1-5-21(17-10-9-13-19(15-17)29-18-11-7-6-8-12-18)30-24(28)22-20(25(22,3)4)14-16(2)23(26)27/h1,6-13,15,20-22H,14H2,2-4H3