[(2R,3R)-3-[(E)-10-phenylmethoxydec-2-en-5-ynyl]oxiran-2-yl]methyl benzenesulfonate

Systemtic Name: [(2R,3R)-3-[(E)-10-phenylmethoxydec-2-en-5-ynyl]oxiran-2-yl]methyl benzenesulfonate Openeye Name: [(2R,3R)-3-[(E)-10-benzyloxydec-2-en-5-ynyl]oxiran-2-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [(2R,3R)-3-[(E)-10-phenylmethoxydec-2-en-5-ynyl]-2-oxiranyl]methyl ester IUPAC Name: [(2R,3R)-3-[(E)-10-phenylmethoxydec-2-en-5-ynyl]oxiran-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [(2R,3R)-3-[(E)-10-benzoxydec-2-en-5-ynyl]oxiran-2-yl]methyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC#CCC=CCC2C(O2)COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC#CC/C=C/C[C@@H]2[C@H](O2)COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30O5S/c27-32(28,24-17-11-8-12-18-24)30-22-26-25(31-26)19-13-5-3-1-2-4-6-14-20-29-21-23-15-9-7-10-16-23/h5,7-13,15-18,25-26H,3-4,6,14,19-22H2/b13-5+/t25-,26-/m1/s1