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

Systemtic Name: 2-[1-(1-adamantyl)-2-adamantyl]nonanoic acid Openeye Name: 2-[1-(1-adamantyl)-2-adamantyl]nonanoic acid CAS Name: 2-[1-(1-adamantyl)-2-adamantyl]nonanoic acid IUPAC Name: 2-[1-(1-adamantyl)-2-adamantyl]nonanoic acid Traditional Name: 2-[1-(1-adamantyl)-2-adamantyl]pelargonic acid Formula: C29H46O2 MolecularWeight: 426.67434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1C2CC3CC(C2)CC1(C3)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CCCCCCCC(C1C2CC3CC(C2)CC1(C3)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H46O2/c1-2-3-4-5-6-7-25(27(30)31)26-24-12-22-11-23(13-24)18-29(26,17-22)28-14-19-8-20(15-28)10-21(9-19)16-28/h19-26H,2-18H2,1H3,(H,30,31)