5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(3,5-dicarboxyphenyl)-1-adamantyl]isophthalic acid Formula: C26H24O8 MolecularWeight: 464.46396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C5=CC(=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C5=CC(=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C26H24O8/c27-21(28)15-2-16(22(29)30)5-19(4-15)25-8-13-1-14(9-25)11-26(10-13,12-25)20-6-17(23(31)32)3-18(7-20)24(33)34/h2-7,13-14H,1,8-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)