2-[4-(4-bromanylphenoxy)phenyl]but-3-yn-2-yl ethanoate

Systemtic Name: 2-[4-(4-bromanylphenoxy)phenyl]but-3-yn-2-yl ethanoate Openeye Name: [1-[4-(4-bromophenoxy)phenyl]-1-methyl-prop-2-ynyl] acetate CAS Name: acetic acid 2-[4-(4-bromophenoxy)phenyl]but-3-yn-2-yl ester IUPAC Name: 2-[4-(4-bromophenoxy)phenyl]but-3-yn-2-yl acetate Traditional Name: acetic acid [1-[4-(4-bromophenoxy)phenyl]-1-methyl-prop-2-ynyl] ester Formula: C18H15BrO3 MolecularWeight: 359.2139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO3/c1-4-18(3,22-13(2)20)14-5-9-16(10-6-14)21-17-11-7-15(19)8-12-17/h1,5-12H,2-3H3