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

Systemtic Name: tris[1,3-bis[bis(3-ethoxy-3-oxidanylidene-propyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[bis(3-ethoxy-3-oxo-propyl)amino]-1-[[bis(3-ethoxy-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-ethoxy-3-oxopropyl)amino]propan-2-yl] ester IUPAC Name: tris[1,3-bis[bis(3-ethoxy-3-oxopropyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[bis(3-ethoxy-3-keto-propyl)amino]-1-[[bis(3-ethoxy-3-keto-propyl)amino]methyl]ethyl] ester Formula: C78H126N6O30 MolecularWeight: 1627.85724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCC(=O)OCC)CC(CN(CCC(=O)OCC)CCC(=O)OCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCC)CCC(=O)OCC)CN(CCC(=O)OCC)CCC(=O)OCC)C(=O)OC(CN(CCC(=O)OCC)CCC(=O)OCC)CN(CCC(=O)OCC)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCN(CCC(=O)OCC)CC(CN(CCC(=O)OCC)CCC(=O)OCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCC)CCC(=O)OCC)CN(CCC(=O)OCC)CCC(=O)OCC)C(=O)OC(CN(CCC(=O)OCC)CCC(=O)OCC)CN(CCC(=O)OCC)CCC(=O)OCC

InChI

InChI=1S/C78H126N6O30/c1-13-100-64(85)25-37-79(38-26-65(86)101-14-2)52-61(53-80(39-27-66(87)102-15-3)40-28-67(88)103-16-4)112-76(97)58-49-59(77(98)113-62(54-81(41-29-68(89)104-17-5)42-30-69(90)105-18-6)55-82(43-31-70(91)106-19-7)44-32-71(92)107-20-8)51-60(50-58)78(99)114-63(56-83(45-33-72(93)108-21-9)46-34-73(94)109-22-10)57-84(47-35-74(95)110-23-11)48-36-75(96)111-24-12/h49-51,61-63H,13-48,52-57H2,1-12H3