4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl methanesulfonate

Systemtic Name: 4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl methanesulfonate Openeye Name: 4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl methanesulfonate CAS Name: methanesulfonic acid 4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl ester IUPAC Name: 4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl methanesulfonate Traditional Name: methanesulfonic acid 4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC1CC2=CC=CC=C12

Isomeric SMILES

CS(=O)(=O)OCCCCC1CC2=CC=CC=C12

InChI

InChI=1S/C13H18O3S/c1-17(14,15)16-9-5-4-7-12-10-11-6-2-3-8-13(11)12/h2-3,6,8,12H,4-5,7,9-10H2,1H3