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

Systemtic Name: tris[1,3-bis[bis(3-methoxy-3-oxidanylidene-propyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[bis(3-methoxy-3-oxo-propyl)amino]-1-[[bis(3-methoxy-3-oxo-propyl)amino]methyl]ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[1,3-bis[bis(3-methoxy-3-oxopropyl)amino]propan-2-yl] ester IUPAC Name: tris[1,3-bis[bis(3-methoxy-3-oxopropyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[bis(3-keto-3-methoxy-propyl)amino]-1-[[bis(3-keto-3-methoxy-propyl)amino]methyl]ethyl] ester Formula: C66H102N6O30 MolecularWeight: 1459.53828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC(=O)OC)CC(CN(CCC(=O)OC)CCC(=O)OC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OC)CCC(=O)OC)CN(CCC(=O)OC)CCC(=O)OC)C(=O)OC(CN(CCC(=O)OC)CCC(=O)OC)CN(CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

COC(=O)CCN(CCC(=O)OC)CC(CN(CCC(=O)OC)CCC(=O)OC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OC)CCC(=O)OC)CN(CCC(=O)OC)CCC(=O)OC)C(=O)OC(CN(CCC(=O)OC)CCC(=O)OC)CN(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C66H102N6O30/c1-88-52(73)13-25-67(26-14-53(74)89-2)40-49(41-68(27-15-54(75)90-3)28-16-55(76)91-4)100-64(85)46-37-47(65(86)101-50(42-69(29-17-56(77)92-5)30-18-57(78)93-6)43-70(31-19-58(79)94-7)32-20-59(80)95-8)39-48(38-46)66(87)102-51(44-71(33-21-60(81)96-9)34-22-61(82)97-10)45-72(35-23-62(83)98-11)36-24-63(84)99-12/h37-39,49-51H,13-36,40-45H2,1-12H3