[(2R,3E)-2-oxidanylnona-3,8-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3E)-2-oxidanylnona-3,8-dienyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3E)-2-hydroxynona-3,8-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3E)-2-hydroxynona-3,8-dienyl] ester IUPAC Name: [(2R,3E)-2-hydroxynona-3,8-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3E)-2-hydroxynona-3,8-dienyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c1-3-4-5-6-7-8-15(17)13-20-21(18,19)16-11-9-14(2)10-12-16/h3,7-12,15,17H,1,4-6,13H2,2H3/b8-7+/t15-/m1/s1