1,10,19,28-tetrakis-(4-methylphenyl)sulfonyl-1,10,19,28-tetrazacyclohexatriacontane

Systemtic Name: 1,10,19,28-tetrakis-(4-methylphenyl)sulfonyl-1,10,19,28-tetrazacyclohexatriacontane Openeye Name: 1,10,19,28-tetrakis(p-tolylsulfonyl)-1,10,19,28-tetrazacyclohexatriacontane CAS Name: 1,10,19,28-tetrakis-(4-methylphenyl)sulfonyl-1,10,19,28-tetrazacyclohexatriacontane IUPAC Name: 1,10,19,28-tetrakis-(4-methylphenyl)sulfonyl-1,10,19,28-tetrazacyclohexatriacontane Traditional Name: 1,10,19,28-tetratosyl-1,10,19,28-tetrazacyclohexatriacontane Formula: C60H92N4O8S4 MolecularWeight: 1125.65448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCN(CCCCCCCCN(CCCCCCCCN(CCCCCCCC2)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)N2CCCCCCCCN(CCCCCCCCN(CCCCCCCCN(CCCCCCCC2)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/C60H92N4O8S4/c1-53-29-37-57(38-30-53)73(65,66)61-45-21-13-5-7-15-23-47-62(74(67,68)58-39-31-54(2)32-40-58)49-25-17-9-11-19-27-51-64(76(71,72)60-43-35-56(4)36-44-60)52-28-20-12-10-18-26-50-63(48-24-16-8-6-14-22-46-61)75(69,70)59-41-33-55(3)34-42-59/h29-44H,5-28,45-52H2,1-4H3