22-(4-methylphenyl)sulfonyloxydocosa-10,12-diynyl 4-methylbenzenesulfonate

Systemtic Name: 22-(4-methylphenyl)sulfonyloxydocosa-10,12-diynyl 4-methylbenzenesulfonate Openeye Name: 22-(p-tolylsulfonyloxy)docosa-10,12-diynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 22-(4-methylphenyl)sulfonyloxydocosa-10,12-diynyl ester IUPAC Name: 22-(4-methylphenyl)sulfonyloxydocosa-10,12-diynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 22-tosyloxydocosa-10,12-diynyl ester Formula: C36H50O6S2 MolecularWeight: 642.9086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C36H50O6S2/c1-33-23-27-35(28-24-33)43(37,38)41-31-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-32-42-44(39,40)36-29-25-34(2)26-30-36/h23-30H,7-22,31-32H2,1-2H3