1,12,23,34-tetrakis-(4-methylphenyl)sulfonyl-1,12,23,34-tetrazacyclotetratetracontane

Systemtic Name: 1,12,23,34-tetrakis-(4-methylphenyl)sulfonyl-1,12,23,34-tetrazacyclotetratetracontane Openeye Name: 1,12,23,34-tetrakis(p-tolylsulfonyl)-1,12,23,34-tetrazacyclotetratetracontane CAS Name: 1,12,23,34-tetrakis-(4-methylphenyl)sulfonyl-1,12,23,34-tetrazacyclotetratetracontane IUPAC Name: 1,12,23,34-tetrakis-(4-methylphenyl)sulfonyl-1,12,23,34-tetrazacyclotetratetracontane Traditional Name: 1,12,23,34-tetratosyl-1,12,23,34-tetrazacyclotetratetracontane Formula: C68H108N4O8S4 MolecularWeight: 1237.86712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCCN(CCCCCCCCCCN(CCCCCCCCCCN(CCCCCCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCCN(CCCCCCCCCCN(CCCCCCCCCCN(CCCCCCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C68H108N4O8S4/c1-61-37-45-65(46-38-61)81(73,74)69-53-29-21-13-5-7-15-23-31-55-70(82(75,76)66-47-39-62(2)40-48-66)57-33-25-17-9-11-19-27-35-59-72(84(79,80)68-51-43-64(4)44-52-68)60-36-28-20-12-10-18-26-34-58-71(56-32-24-16-8-6-14-22-30-54-69)83(77,78)67-49-41-63(3)42-50-67/h37-52H,5-36,53-60H2,1-4H3