[(2S,4R)-2,4-bis(oxidanyl)hept-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-2,4-bis(oxidanyl)hept-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-2,4-dihydroxyhept-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxyhept-6-enyl] ester IUPAC Name: [(2S,4R)-2,4-dihydroxyhept-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxyhept-6-enyl] ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-3-4-12(15)9-13(16)10-19-20(17,18)14-7-5-11(2)6-8-14/h3,5-8,12-13,15-16H,1,4,9-10H2,2H3/t12-,13+/m1/s1