2-[3-[3-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-1-adamantyl]-1-adamantyl]pentanoic acid

Systemtic Name: 2-[3-[3-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-1-adamantyl]-1-adamantyl]pentanoic acid Openeye Name: 2-[3-[3-(1-carboxybutyl)-1-adamantyl]-1-adamantyl]pentanoic acid CAS Name: 2-[3-[3-(1-hydroxy-1-oxopentan-2-yl)-1-adamantyl]-1-adamantyl]pentanoic acid IUPAC Name: 2-[3-[3-(1-hydroxy-1-oxopentan-2-yl)-1-adamantyl]-1-adamantyl]pentanoic acid Traditional Name: 2-[3-[3-(1-carboxybutyl)-1-adamantyl]-1-adamantyl]valeric acid Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O4/c1-3-5-23(25(31)32)27-9-19-7-20(10-27)14-29(13-19,17-27)30-15-21-8-22(16-30)12-28(11-21,18-30)24(6-4-2)26(33)34/h19-24H,3-18H2,1-2H3,(H,31,32)(H,33,34)