[(2R,3S)-3-methyl-2-oxidanyl-6-pent-4-enoxy-hept-4-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-3-methyl-2-oxidanyl-6-pent-4-enoxy-hept-4-ynyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-hydroxy-3-methyl-6-pent-4-enoxy-hept-4-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3-methyl-6-pent-4-enoxyhept-4-ynyl] ester IUPAC Name: [(2R,3S)-2-hydroxy-3-methyl-6-pent-4-enoxyhept-4-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-hydroxy-3-methyl-6-pent-4-enoxy-hept-4-ynyl] ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)C#CC(C)OCCCC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@@H](C)C#CC(C)OCCCC=C)O

InChI

InChI=1S/C20H28O5S/c1-5-6-7-14-24-18(4)11-10-17(3)20(21)15-25-26(22,23)19-12-8-16(2)9-13-19/h5,8-9,12-13,17-18,20-21H,1,6-7,14-15H2,2-4H3/t17-,18?,20-/m0/s1