3-methyl-3-[3-[3-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1-adamantyl]-1-adamantyl]butanoic acid

Systemtic Name: 3-methyl-3-[3-[3-(2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)-1-adamantyl]-1-adamantyl]butanoic acid Openeye Name: 3-[3-[3-(3-hydroxy-1,1-dimethyl-3-oxo-propyl)-1-adamantyl]-1-adamantyl]-3-methyl-butanoic acid CAS Name: 3-[3-[3-(4-hydroxy-2-methyl-4-oxobutan-2-yl)-1-adamantyl]-1-adamantyl]-3-methylbutanoic acid IUPAC Name: 3-[3-[3-(4-hydroxy-2-methyl-4-oxobutan-2-yl)-1-adamantyl]-1-adamantyl]-3-methylbutanoic acid Traditional Name: 3-[3-[3-(3-hydroxy-3-keto-1,1-dimethyl-propyl)-1-adamantyl]-1-adamantyl]-3-methyl-butyric acid Formula: C30H46O4 MolecularWeight: 470.68384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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