trisodium 1-methyl-4-(4-nitrophenoxy)carbonyl-5-phenyl-heptane-1,2,3-tricarboxylate

Systemtic Name: trisodium 1-methyl-4-(4-nitrophenoxy)carbonyl-5-phenyl-heptane-1,2,3-tricarboxylate Openeye Name: trisodium 1-methyl-4-(4-nitrophenoxy)carbonyl-5-phenyl-heptane-1,2,3-tricarboxylate CAS Name: trisodium 1-methyl-4-[(4-nitrophenoxy)-oxomethyl]-5-phenylheptane-1,2,3-tricarboxylate IUPAC Name: trisodium 1-methyl-4-(4-nitrophenoxy)carbonyl-5-phenylheptane-1,2,3-tricarboxylate Traditional Name: trisodium 1-methyl-4-(4-nitrophenoxy)carbonyl-5-phenyl-heptane-1,2,3-tricarboxylate Formula: C24H22NNa3O10 MolecularWeight: 553.40149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H25NO10.3Na/c1-3-17(14-7-5-4-6-8-14)19(20(23(30)31)18(22(28)29)13(2)21(26)27)24(32)35-16-11-9-15(10-12-16)25(33)34;;;/h4-13,17-20H,3H2,1-2H3,(H,26,27)(H,28,29)(H,30,31);;;/q;3*+1/p-3