1-phenylpent-4-yn-2-yl 4-chloranylbenzenesulfonate

Systemtic Name: 1-phenylpent-4-yn-2-yl 4-chloranylbenzenesulfonate Openeye Name: 1-benzylbut-3-ynyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 1-phenylpent-4-yn-2-yl ester IUPAC Name: 1-phenylpent-4-yn-2-yl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 1-benzylbut-3-ynyl ester Formula: C17H15ClO3S MolecularWeight: 334.8172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClO3S/c1-2-6-16(13-14-7-4-3-5-8-14)21-22(19,20)17-11-9-15(18)10-12-17/h1,3-5,7-12,16H,6,13H2