2-(phenylmethyl)but-3-ynyl 4-chloranylbenzenesulfonate

Systemtic Name: 2-(phenylmethyl)but-3-ynyl 4-chloranylbenzenesulfonate Openeye Name: 2-benzylbut-3-ynyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 2-(phenylmethyl)but-3-ynyl ester IUPAC Name: 2-benzylbut-3-ynyl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 2-benzylbut-3-ynyl ester Formula: C17H15ClO3S MolecularWeight: 334.8172

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=CC=C1)COS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CC(CC1=CC=CC=C1)COS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

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