(4-methylphenyl) 4-ethynylbenzenesulfonate

Systemtic Name: (4-methylphenyl) 4-ethynylbenzenesulfonate Openeye Name: p-tolyl 4-ethynylbenzenesulfonate CAS Name: 4-ethynylbenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-ethynylbenzenesulfonate Traditional Name: 4-ethynylbenzenesulfonic acid p-tolyl ester Formula: C15H12O3S MolecularWeight: 272.31898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C#C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C15H12O3S/c1-3-13-6-10-15(11-7-13)19(16,17)18-14-8-4-12(2)5-9-14/h1,4-11H,2H3