1,9,17,25-tetrakis-(4-methylphenyl)sulfonyl-1,9,17,25-tetrazacyclodotriacontane

Systemtic Name: 1,9,17,25-tetrakis-(4-methylphenyl)sulfonyl-1,9,17,25-tetrazacyclodotriacontane Openeye Name: 1,9,17,25-tetrakis(p-tolylsulfonyl)-1,9,17,25-tetrazacyclodotriacontane CAS Name: 1,9,17,25-tetrakis-(4-methylphenyl)sulfonyl-1,9,17,25-tetrazacyclodotriacontane IUPAC Name: 1,9,17,25-tetrakis-(4-methylphenyl)sulfonyl-1,9,17,25-tetrazacyclodotriacontane Traditional Name: 1,9,17,25-tetratosyl-1,9,17,25-tetrazacyclodotriacontane Formula: C56H84N4O8S4 MolecularWeight: 1069.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCN(CCCCCCCN(CCCCCCCN(CCCCCCC2)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)N2CCCCCCCN(CCCCCCCN(CCCCCCCN(CCCCCCC2)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/C56H84N4O8S4/c1-49-25-33-53(34-26-49)69(61,62)57-41-17-9-5-11-19-43-58(70(63,64)54-35-27-50(2)28-36-54)45-21-13-7-15-23-47-60(72(67,68)56-39-31-52(4)32-40-56)48-24-16-8-14-22-46-59(44-20-12-6-10-18-42-57)71(65,66)55-37-29-51(3)30-38-55/h25-40H,5-24,41-48H2,1-4H3