[(E,2R)-2-oxidanyl-8-oxidanylidene-non-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R)-2-oxidanyl-8-oxidanylidene-non-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R)-2-hydroxy-8-oxo-non-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R)-2-hydroxy-8-oxonon-3-enyl] ester IUPAC Name: [(E,2R)-2-hydroxy-8-oxonon-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R)-2-hydroxy-8-keto-non-3-enyl] ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S/c1-13-8-10-16(11-9-13)22(19,20)21-12-15(18)7-5-3-4-6-14(2)17/h5,7-11,15,18H,3-4,6,12H2,1-2H3/b7-5+/t15-/m1/s1