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

Systemtic Name: tris[1,3-bis[bis(3-butoxy-3-oxidanylidene-propyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[bis(3-butoxy-3-oxo-propyl)amino]-1-[[bis(3-butoxy-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-butoxy-3-oxopropyl)amino]propan-2-yl] ester IUPAC Name: tris[1,3-bis[bis(3-butoxy-3-oxopropyl)amino]propan-2-yl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[bis(3-butoxy-3-keto-propyl)amino]-1-[[bis(3-butoxy-3-keto-propyl)amino]methyl]ethyl] ester Formula: C102H174N6O30 MolecularWeight: 1964.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN(CCC(=O)OCCCC)CC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)CN(CCC(=O)OCCCC)CCC(=O)OCCCC)C(=O)OC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)CN(CCC(=O)OCCCC)CCC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CCN(CCC(=O)OCCCC)CC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)OC(=O)C1=CC(=CC(=C1)C(=O)OC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)CN(CCC(=O)OCCCC)CCC(=O)OCCCC)C(=O)OC(CN(CCC(=O)OCCCC)CCC(=O)OCCCC)CN(CCC(=O)OCCCC)CCC(=O)OCCCC

InChI

InChI=1S/C102H174N6O30/c1-13-25-61-124-88(109)37-49-103(50-38-89(110)125-62-26-14-2)76-85(77-104(51-39-90(111)126-63-27-15-3)52-40-91(112)127-64-28-16-4)136-100(121)82-73-83(101(122)137-86(78-105(53-41-92(113)128-65-29-17-5)54-42-93(114)129-66-30-18-6)79-106(55-43-94(115)130-67-31-19-7)56-44-95(116)131-68-32-20-8)75-84(74-82)102(123)138-87(80-107(57-45-96(117)132-69-33-21-9)58-46-97(118)133-70-34-22-10)81-108(59-47-98(119)134-71-35-23-11)60-48-99(120)135-72-36-24-12/h73-75,85-87H,13-72,76-81H2,1-12H3