4-[4-(1-adamantyl)-3-methoxy-phenyl]carbonyloxybenzene-1,3-dicarboxylic acid

Systemtic Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]carbonyloxybenzene-1,3-dicarboxylic acid Openeye Name: 4-[4-(1-adamantyl)-3-methoxy-benzoyl]oxybenzene-1,3-dicarboxylic acid CAS Name: 4-[[4-(1-adamantyl)-3-methoxyphenyl]-oxomethoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[4-(1-adamantyl)-3-methoxybenzoyl]oxybenzene-1,3-dicarboxylic acid Traditional Name: 4-[4-(1-adamantyl)-3-methoxy-benzoyl]oxyisophthalic acid Formula: C26H26O7 MolecularWeight: 450.48044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H26O7/c1-32-22-10-18(25(31)33-21-5-3-17(23(27)28)9-19(21)24(29)30)2-4-20(22)26-11-14-6-15(12-26)8-16(7-14)13-26/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,27,28)(H,29,30)