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

Systemtic Name: 2-[1-(1-adamantyl)-2-adamantyl]heptanoic acid Openeye Name: 2-[1-(1-adamantyl)-2-adamantyl]heptanoic acid CAS Name: 2-[1-(1-adamantyl)-2-adamantyl]heptanoic acid IUPAC Name: 2-[1-(1-adamantyl)-2-adamantyl]heptanoic acid Traditional Name: 2-[1-(1-adamantyl)-2-adamantyl]enanthic acid Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O2/c1-2-3-4-5-23(25(28)29)24-22-10-20-9-21(11-22)16-27(24,15-20)26-12-17-6-18(13-26)8-19(7-17)14-26/h17-24H,2-16H2,1H3,(H,28,29)