tris[1,3-bis[bis(3-oxidanylidene-3-propoxy-propyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[1,3-bis[bis(3-oxidanylidene-3-propoxy-propyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[bis(3-oxo-3-propoxy-propyl)amino]-1-[[bis(3-oxo-3-propoxy-propyl)amino]methyl]ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[1,3-bis[bis(3-oxo-3-propoxypropyl)amino]propan-2-yl] ester IUPAC Name: tris[1,3-bis[bis(3-oxo-3-propoxypropyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[bis(3-keto-3-propoxy-propyl)amino]-1-[[bis(3-keto-3-propoxy-propyl)amino]methyl]ethyl] ester Formula: C90H150N6O30 MolecularWeight: 1796.1762

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN(CCC(=O)OCCC)CC(CN(CCC(=O)OCCC)CCC(=O)OCCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCCC)CCC(=O)OCCC)CN(CCC(=O)OCCC)CCC(=O)OCCC)C(=O)OC(CN(CCC(=O)OCCC)CCC(=O)OCCC)CN(CCC(=O)OCCC)CCC(=O)OCCC

Isomeric SMILES

CCCOC(=O)CCN(CCC(=O)OCCC)CC(CN(CCC(=O)OCCC)CCC(=O)OCCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCCC)CCC(=O)OCCC)CN(CCC(=O)OCCC)CCC(=O)OCCC)C(=O)OC(CN(CCC(=O)OCCC)CCC(=O)OCCC)CN(CCC(=O)OCCC)CCC(=O)OCCC

InChI

InChI=1S/C90H150N6O30/c1-13-49-112-76(97)25-37-91(38-26-77(98)113-50-14-2)64-73(65-92(39-27-78(99)114-51-15-3)40-28-79(100)115-52-16-4)124-88(109)70-61-71(89(110)125-74(66-93(41-29-80(101)116-53-17-5)42-30-81(102)117-54-18-6)67-94(43-31-82(103)118-55-19-7)44-32-83(104)119-56-20-8)63-72(62-70)90(111)126-75(68-95(45-33-84(105)120-57-21-9)46-34-85(106)121-58-22-10)69-96(47-35-86(107)122-59-23-11)48-36-87(108)123-60-24-12/h61-63,73-75H,13-60,64-69H2,1-12H3