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

Systemtic Name: [(E)-7-oxidanylidenehept-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-7-oxohept-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-7-oxohept-5-enyl] ester IUPAC Name: [(E)-7-oxohept-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-7-ketohept-5-enyl] ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h3,5,7-11H,2,4,6,12H2,1H3/b5-3+