2,4-bis(1-adamantyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(1-adamantyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(1-adamantyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(1-adamantyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(1-adamantyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(1-adamantyl)isophthalic acid Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6)C(=O)O

InChI

InChI=1S/C28H34O4/c29-25(30)21-1-2-22(27-9-15-3-16(10-27)5-17(4-15)11-27)23(26(31)32)24(21)28-12-18-6-19(13-28)8-20(7-18)14-28/h1-2,15-20H,3-14H2,(H,29,30)(H,31,32)