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8-diethoxyphosphoryl-1,4,12-tris-(4-methylphenyl)sulfonyl-1,4,8,12-tetrazacyclopentadecane
8-diethoxyphosphoryl-1,4,12-tris-(4-methylphenyl)sulfonyl-1,4,8,12-tetrazacyclopentadecane
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Descriptors Computed from Structure
Canonical SMILES:
CCOP(=O)(N1CCCN(CCCN(CCN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OCC
Isomeric SMILES
CCOP(=O)(N1CCCN(CCCN(CCN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OCC
InChI
InChI=1S/C36H53N4O9PS3/c1-6-48-50(41,49-7-2)37-23-8-25-38(51(42,43)34-17-11-31(3)12-18-34)27-10-28-40(53(46,47)36-21-15-33(5)16-22-36)30-29-39(26-9-24-37)52(44,45)35-19-13-32(4)14-20-35/h11-22H,6-10,23-30H2,1-5H3
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