5-bicyclo[4.1.0]heptanylmethyl 4-methylbenzenesulfonate

Systemtic Name: 5-bicyclo[4.1.0]heptanylmethyl 4-methylbenzenesulfonate Openeye Name: norcaran-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-bicyclo[4.1.0]heptanylmethyl ester IUPAC Name: 5-bicyclo[4.1.0]heptanylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid norcaran-2-ylmethyl ester Formula: C15H20O3S MolecularWeight: 280.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC3C2C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC3C2C3

InChI

InChI=1S/C15H20O3S/c1-11-5-7-14(8-6-11)19(16,17)18-10-13-4-2-3-12-9-15(12)13/h5-8,12-13,15H,2-4,9-10H2,1H3