[(E)-7-oxidanylideneoct-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-7-oxidanylideneoct-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-7-oxooct-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-7-oxooct-5-enyl] ester IUPAC Name: [(E)-7-oxooct-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-7-ketooct-5-enyl] ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC/C=C/C(=O)C

InChI

InChI=1S/C15H20O4S/c1-13-8-10-15(11-9-13)20(17,18)19-12-6-4-3-5-7-14(2)16/h5,7-11H,3-4,6,12H2,1-2H3/b7-5+