4-(2-bromophenyl)but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-(2-bromophenyl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(2-bromophenyl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(2-bromophenyl)but-3-ynyl ester IUPAC Name: 4-(2-bromophenyl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(2-bromophenyl)but-3-ynyl ester Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=CC=C2Br

InChI

InChI=1S/C17H15BrO3S/c1-14-9-11-16(12-10-14)22(19,20)21-13-5-4-7-15-6-2-3-8-17(15)18/h2-3,6,8-12H,5,13H2,1H3