2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxybenzene-1,3-dicarboxylic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxybenzene-1,3-dicarboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-benzoyl]oxybenzene-1,3-dicarboxylic acid CAS Name: 2-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxybenzoyl]oxybenzene-1,3-dicarboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-benzoyl]oxyisophthalic acid Formula: C26H26O7 MolecularWeight: 450.48044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2C(=O)O)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2C(=O)O)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

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