6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate

Systemtic Name: 6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate Openeye Name: 6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate CAS Name: 6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate IUPAC Name: 6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate Traditional Name: 6-[3-(2,3,5-tricarboxylatophenyl)-1-adamantyl]benzene-1,2,4-tricarboxylate Formula: C28H18O12-6 MolecularWeight: 546.43532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC(=CC(=C4C(=O)[O-])C(=O)[O-])C(=O)[O-])C5=CC(=CC(=C5C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC(=CC(=C4C(=O)[O-])C(=O)[O-])C(=O)[O-])C5=CC(=CC(=C5C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H24O12/c29-21(30)13-2-15(23(33)34)19(25(37)38)17(4-13)27-6-11-1-12(7-27)9-28(8-11,10-27)18-5-14(22(31)32)3-16(24(35)36)20(18)26(39)40/h2-5,11-12H,1,6-10H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/p-6