1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-methyl-pentane-1,1,2-tricarboxylate

Systemtic Name: 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-methyl-pentane-1,1,2-tricarboxylate Openeye Name: 1-[(1,3-dioxoisoindolin-2-yl)methyl]-4-methyl-pentane-1,1,2-tricarboxylate CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methyl]-4-methylpentane-1,1,2-tricarboxylate IUPAC Name: 1-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentane-1,1,2-tricarboxylate Traditional Name: 4-methyl-1-(phthalimidomethyl)pentane-1,1,2-tricarboxylate Formula: C18H16NO8-3 MolecularWeight: 374.32154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])C(CN1C(=O)C2=CC=CC=C2C1=O)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)[O-])C(CN1C(=O)C2=CC=CC=C2C1=O)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19NO8/c1-9(2)7-12(15(22)23)18(16(24)25,17(26)27)8-19-13(20)10-5-3-4-6-11(10)14(19)21/h3-6,9,12H,7-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)/p-3