2-[3-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1-adamantyl]-1-adamantyl]propanoic acid

Systemtic Name: 2-[3-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1-adamantyl]-1-adamantyl]propanoic acid Openeye Name: 2-[3-[3-(2-hydroxy-1-methyl-2-oxo-ethyl)-1-adamantyl]-1-adamantyl]propanoic acid CAS Name: 2-[3-[3-(1-hydroxy-1-oxopropan-2-yl)-1-adamantyl]-1-adamantyl]propanoic acid IUPAC Name: 2-[3-[3-(1-hydroxy-1-oxopropan-2-yl)-1-adamantyl]-1-adamantyl]propanoic acid Traditional Name: 2-[3-[3-(2-hydroxy-2-keto-1-methyl-ethyl)-1-adamantyl]-1-adamantyl]propionic acid Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(C)C(=O)O

InChI

InChI=1S/C26H38O4/c1-15(21(27)28)23-5-17-3-18(6-23)10-25(9-17,13-23)26-11-19-4-20(12-26)8-24(7-19,14-26)16(2)22(29)30/h15-20H,3-14H2,1-2H3,(H,27,28)(H,29,30)