2-[1-(1-adamantyl)-2-adamantyl]propanedioic acid

Systemtic Name: 2-[1-(1-adamantyl)-2-adamantyl]propanedioic acid Openeye Name: 2-[1-(1-adamantyl)-2-adamantyl]propanedioic acid CAS Name: 2-[1-(1-adamantyl)-2-adamantyl]propanedioic acid IUPAC Name: 2-[1-(1-adamantyl)-2-adamantyl]propanedioic acid Traditional Name: 2-[1-(1-adamantyl)-2-adamantyl]malonic acid Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)C5C(C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)C5C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H32O4/c24-20(25)18(21(26)27)19-17-5-15-4-16(6-17)11-23(19,10-15)22-7-12-1-13(8-22)3-14(2-12)9-22/h12-19H,1-11H2,(H,24,25)(H,26,27)