(2-oxidanylidenecycloheptyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidenecycloheptyl) 4-methylbenzenesulfonate Openeye Name: (2-oxocycloheptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxocycloheptyl) ester IUPAC Name: (2-oxocycloheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ketocycloheptyl) ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2=O

InChI

InChI=1S/C14H18O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h7-10,14H,2-6H2,1H3