(9-oxidanylidene-4-bicyclo[3.3.1]nonanyl) 4-methylbenzenesulfonate

Systemtic Name: (9-oxidanylidene-4-bicyclo[3.3.1]nonanyl) 4-methylbenzenesulfonate Openeye Name: (9-oxo-4-bicyclo[3.3.1]nonanyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-oxo-4-bicyclo[3.3.1]nonanyl) ester IUPAC Name: (9-oxo-4-bicyclo[3.3.1]nonanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-keto-4-bicyclo[3.3.1]nonanyl) ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3CCCC2C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3CCCC2C3=O

InChI

InChI=1S/C16H20O4S/c1-11-5-8-13(9-6-11)21(18,19)20-15-10-7-12-3-2-4-14(15)16(12)17/h5-6,8-9,12,14-15H,2-4,7,10H2,1H3