8-(4-methylphenyl)sulfonyloxyocta-3,5-diynyl 4-methylbenzenesulfonate

Systemtic Name: 8-(4-methylphenyl)sulfonyloxyocta-3,5-diynyl 4-methylbenzenesulfonate Openeye Name: 8-(p-tolylsulfonyloxy)octa-3,5-diynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-(4-methylphenyl)sulfonyloxyocta-3,5-diynyl ester IUPAC Name: 8-(4-methylphenyl)sulfonyloxyocta-3,5-diynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-tosyloxyocta-3,5-diynyl ester Formula: C22H22O6S2 MolecularWeight: 446.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC#CCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC#CCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H22O6S2/c1-19-9-13-21(14-10-19)29(23,24)27-17-7-5-3-4-6-8-18-28-30(25,26)22-15-11-20(2)12-16-22/h9-16H,7-8,17-18H2,1-2H3