5-bicyclo[3.3.1]nonanylmethyl 4-methylbenzenesulfonate

Systemtic Name: 5-bicyclo[3.3.1]nonanylmethyl 4-methylbenzenesulfonate Openeye Name: 5-bicyclo[3.3.1]nonanylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-bicyclo[3.3.1]nonanylmethyl ester IUPAC Name: 5-bicyclo[3.3.1]nonanylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-bicyclo[3.3.1]nonanylmethyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC(C2)CCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC(C2)CCC3

InChI

InChI=1S/C17H24O3S/c1-14-6-8-16(9-7-14)21(18,19)20-13-17-10-2-4-15(12-17)5-3-11-17/h6-9,15H,2-5,10-13H2,1H3