3,5,6-tris[3-(diethylamino)-2-oxidanyl-propyl]benzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tris[3-(diethylamino)-2-oxidanyl-propyl]benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris[3-(diethylamino)-2-hydroxy-propyl]benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tris[3-(diethylamino)-2-hydroxypropyl]benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tris[3-(diethylamino)-2-hydroxypropyl]benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris[3-(diethylamino)-2-hydroxy-propyl]benzene-1,2,4-tricarboxylate Formula: C30H48N3O9-3 MolecularWeight: 594.71682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CC1=C(C(=C(C(=C1C(=O)[O-])CC(CN(CC)CC)O)C(=O)[O-])C(=O)[O-])CC(CN(CC)CC)O)O

Isomeric SMILES

CCN(CC)CC(CC1=C(C(=C(C(=C1C(=O)[O-])CC(CN(CC)CC)O)C(=O)[O-])C(=O)[O-])CC(CN(CC)CC)O)O

InChI

InChI=1S/C30H51N3O9/c1-7-31(8-2)16-19(34)13-22-23(14-20(35)17-32(9-3)10-4)26(29(39)40)27(30(41)42)24(25(22)28(37)38)15-21(36)18-33(11-5)12-6/h19-21,34-36H,7-18H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)/p-3