2-[3-[3-(1-oxidanyl-1-oxidanylidene-nonan-2-yl)-1-adamantyl]-1-adamantyl]nonanoic acid

Systemtic Name: 2-[3-[3-(1-oxidanyl-1-oxidanylidene-nonan-2-yl)-1-adamantyl]-1-adamantyl]nonanoic acid Openeye Name: 2-[3-[3-(1-carboxyoctyl)-1-adamantyl]-1-adamantyl]nonanoic acid CAS Name: 2-[3-[3-(1-hydroxy-1-oxononan-2-yl)-1-adamantyl]-1-adamantyl]nonanoic acid IUPAC Name: 2-[3-[3-(1-hydroxy-1-oxononan-2-yl)-1-adamantyl]-1-adamantyl]nonanoic acid Traditional Name: 2-[3-[3-(1-carboxyoctyl)-1-adamantyl]-1-adamantyl]pelargonic acid Formula: C38H62O4 MolecularWeight: 582.89648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H62O4/c1-3-5-7-9-11-13-31(33(39)40)35-17-27-15-28(18-35)22-37(21-27,25-35)38-23-29-16-30(24-38)20-36(19-29,26-38)32(34(41)42)14-12-10-8-6-4-2/h27-32H,3-26H2,1-2H3,(H,39,40)(H,41,42)