3-[6-[3-(4-methylphenyl)sulfonyloxypropoxy]hexa-2,4-diynoxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[6-[3-(4-methylphenyl)sulfonyloxypropoxy]hexa-2,4-diynoxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[6-[3-(p-tolylsulfonyloxy)propoxy]hexa-2,4-diynoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[6-[3-(4-methylphenyl)sulfonyloxypropoxy]hexa-2,4-diynoxy]propyl ester IUPAC Name: 3-[6-[3-(4-methylphenyl)sulfonyloxypropoxy]hexa-2,4-diynoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[6-(3-tosyloxypropoxy)hexa-2,4-diynoxy]propyl ester Formula: C26H30O8S2 MolecularWeight: 534.6416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC#CC#CCOCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC#CC#CCOCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H30O8S2/c1-23-9-13-25(14-10-23)35(27,28)33-21-7-19-31-17-5-3-4-6-18-32-20-8-22-34-36(29,30)26-15-11-24(2)12-16-26/h9-16H,7-8,17-22H2,1-2H3