[(6S)-1-phenyltridec-4-yn-6-yl] methanesulfonate

Systemtic Name: [(6S)-1-phenyltridec-4-yn-6-yl] methanesulfonate Openeye Name: [(1S)-1-(5-phenylpent-1-ynyl)octyl] methanesulfonate CAS Name: methanesulfonic acid [(6S)-1-phenyltridec-4-yn-6-yl] ester IUPAC Name: [(6S)-1-phenyltridec-4-yn-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-heptyl-6-phenyl-hex-2-ynyl] ester Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C#CCCCC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC[C@@H](C#CCCCC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C20H30O3S/c1-3-4-5-6-12-17-20(23-24(2,21)22)18-13-8-11-16-19-14-9-7-10-15-19/h7,9-10,14-15,20H,3-6,8,11-12,16-17H2,1-2H3/t20-/m0/s1