[1-(4-bromophenyl)-4-oxidanyl-but-2-ynyl] benzoate

Systemtic Name: [1-(4-bromophenyl)-4-oxidanyl-but-2-ynyl] benzoate Openeye Name: [1-(4-bromophenyl)-4-hydroxy-but-2-ynyl] benzoate CAS Name: benzoic acid [1-(4-bromophenyl)-4-hydroxybut-2-ynyl] ester IUPAC Name: [1-(4-bromophenyl)-4-hydroxybut-2-ynyl] benzoate Traditional Name: benzoic acid [1-(4-bromophenyl)-4-hydroxy-but-2-ynyl] ester Formula: C17H13BrO3 MolecularWeight: 345.18732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrO3/c18-15-10-8-13(9-11-15)16(7-4-12-19)21-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,19H,12H2