2-[3-[3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)-1-adamantyl]-1-adamantyl]heptanoic acid

Systemtic Name: 2-[3-[3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)-1-adamantyl]-1-adamantyl]heptanoic acid Openeye Name: 2-[3-[3-(1-carboxyhexyl)-1-adamantyl]-1-adamantyl]heptanoic acid CAS Name: 2-[3-[3-(1-hydroxy-1-oxoheptan-2-yl)-1-adamantyl]-1-adamantyl]heptanoic acid IUPAC Name: 2-[3-[3-(1-hydroxy-1-oxoheptan-2-yl)-1-adamantyl]-1-adamantyl]heptanoic acid Traditional Name: 2-[3-[3-(1-carboxyhexyl)-1-adamantyl]-1-adamantyl]enanthic acid Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54O4/c1-3-5-7-9-27(29(35)36)31-13-23-11-24(14-31)18-33(17-23,21-31)34-19-25-12-26(20-34)16-32(15-25,22-34)28(30(37)38)10-8-6-4-2/h23-28H,3-22H2,1-2H3,(H,35,36)(H,37,38)