[(2S,3S)-3-(phenylmethyl)pent-4-yn-2-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2S,3S)-3-(phenylmethyl)pent-4-yn-2-yl] 4-chloranylbenzenesulfonate Openeye Name: [(1S,2S)-2-benzyl-1-methyl-but-3-ynyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2S,3S)-3-(phenylmethyl)pent-4-yn-2-yl] ester IUPAC Name: [(2S,3S)-3-benzylpent-4-yn-2-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(1S,2S)-2-benzyl-1-methyl-but-3-ynyl] ester Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=CC=C1)C#C)OS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClO3S/c1-3-16(13-15-7-5-4-6-8-15)14(2)22-23(20,21)18-11-9-17(19)10-12-18/h1,4-12,14,16H,13H2,2H3/t14-,16+/m0/s1