1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]-2-pyrazinyl]methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,4,8-tris(diethoxyphosphoryl)-11-[[5-[[4,8,11-tris(diethoxyphosphoryl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane Formula: C50H106N10O18P6 MolecularWeight: 1321.275406

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCCN(CCN(CCCN(CC1)P(=O)(OCC)OCC)P(=O)(OCC)OCC)CC2=CN=C(C=N2)CN3CCCN(CCN(CCCN(CC3)P(=O)(OCC)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(N1CCCN(CCN(CCCN(CC1)P(=O)(OCC)OCC)P(=O)(OCC)OCC)CC2=CN=C(C=N2)CN3CCCN(CCN(CCCN(CC3)P(=O)(OCC)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C50H106N10O18P6/c1-13-67-79(61,68-14-2)55-33-27-35-59(83(65,75-21-9)76-22-10)43-41-57(81(63,71-17-5)72-18-6)31-25-29-53(37-39-55)47-49-45-52-50(46-51-49)48-54-30-26-32-58(82(64,73-19-7)74-20-8)42-44-60(84(66,77-23-11)78-24-12)36-28-34-56(40-38-54)80(62,69-15-3)70-16-4/h45-46H,13-44,47-48H2,1-12H3