4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethoxy)phenyl]methyl]heptane-1,2,7-tricarboxylic acid

Systemtic Name: 4-[[4-(2-oxidanylidene-2-phenylmethoxy-ethoxy)phenyl]methyl]heptane-1,2,7-tricarboxylic acid Openeye Name: 4-[[4-(2-benzyloxy-2-oxo-ethoxy)phenyl]methyl]heptane-1,2,7-tricarboxylic acid CAS Name: 4-[[4-(2-oxo-2-phenylmethoxyethoxy)phenyl]methyl]heptane-1,2,7-tricarboxylic acid IUPAC Name: 4-[[4-(2-oxo-2-phenylmethoxyethoxy)phenyl]methyl]heptane-1,2,7-tricarboxylic acid Traditional Name: 4-[4-(2-benzoxy-2-keto-ethoxy)benzyl]heptane-1,2,7-tricarboxylic acid Formula: C26H30O9 MolecularWeight: 486.511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)COC2=CC=C(C=C2)CC(CCCC(=O)O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)COC2=CC=C(C=C2)CC(CCCC(=O)O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H30O9/c27-23(28)8-4-7-20(14-21(26(32)33)15-24(29)30)13-18-9-11-22(12-10-18)34-17-25(31)35-16-19-5-2-1-3-6-19/h1-3,5-6,9-12,20-21H,4,7-8,13-17H2,(H,27,28)(H,29,30)(H,32,33)