3-[2,4-dimethyl-5-[(4-methyl-4-oxidanyl-1-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxyadamantane-1-carboxylic acid

Systemtic Name: 3-[2,4-dimethyl-5-[(4-methyl-4-oxidanyl-1-adamantyl)oxy]-5-oxidanylidene-pentanoyl]oxyadamantane-1-carboxylic acid Openeye Name: 3-[5-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,4-dimethyl-5-oxo-pentanoyl]oxyadamantane-1-carboxylic acid CAS Name: 3-[5-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,4-dimethyl-1,5-dioxopentoxy]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,4-dimethyl-5-oxopentanoyl]oxyadamantane-1-carboxylic acid Traditional Name: 3-[5-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-5-keto-2,4-dimethyl-pentanoyl]oxyadamantane-1-carboxylic acid Formula: C29H42O7 MolecularWeight: 502.63958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O)C(=O)OC45CC6CC(C4)C(C(C6)C5)(C)O

Isomeric SMILES

CC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O)C(=O)OC45CC6CC(C4)C(C(C6)C5)(C)O

InChI

InChI=1S/C29H42O7/c1-16(23(30)35-28-10-18-6-21(13-28)26(3,34)22(7-18)14-28)4-17(2)24(31)36-29-11-19-5-20(12-29)9-27(8-19,15-29)25(32)33/h16-22,34H,4-15H2,1-3H3,(H,32,33)