(9-oxidanylidenespiro[4.4]nonan-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (9-oxidanylidenespiro[4.4]nonan-8-yl) 4-methylbenzenesulfonate Openeye Name: (9-oxospiro[4.4]nonan-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-oxo-8-spiro[4.4]nonanyl) ester IUPAC Name: (9-oxospiro[4.4]nonan-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-ketospiro[4.4]nonan-8-yl) ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C2=O)CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C2=O)CCCC3

InChI

InChI=1S/C16H20O4S/c1-12-4-6-13(7-5-12)21(18,19)20-14-8-11-16(15(14)17)9-2-3-10-16/h4-7,14H,2-3,8-11H2,1H3