3-(3-carboxy-1-adamantyl)adamantane-1-carboxylic acid

Systemtic Name: 3-(3-carboxy-1-adamantyl)adamantane-1-carboxylic acid Openeye Name: 3-(3-carboxy-1-adamantyl)adamantane-1-carboxylic acid CAS Name: 3-(3-carboxy-1-adamantyl)-1-adamantanecarboxylic acid IUPAC Name: 3-(3-carboxy-1-adamantyl)adamantane-1-carboxylic acid Traditional Name: 3-(3-carboxy-1-adamantyl)adamantane-1-carboxylic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)C(=O)O

InChI

InChI=1S/C22H30O4/c23-17(24)19-3-13-1-14(4-19)8-21(7-13,11-19)22-9-15-2-16(10-22)6-20(5-15,12-22)18(25)26/h13-16H,1-12H2,(H,23,24)(H,25,26)