3-[2,5-dimethyl-6-[(4-methyl-4-oxidanyl-1-adamantyl)oxy]-6-oxidanylidene-hexanoyl]oxyadamantane-1-carboxylic acid

Systemtic Name: 3-[2,5-dimethyl-6-[(4-methyl-4-oxidanyl-1-adamantyl)oxy]-6-oxidanylidene-hexanoyl]oxyadamantane-1-carboxylic acid Openeye Name: 3-[6-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,5-dimethyl-6-oxo-hexanoyl]oxyadamantane-1-carboxylic acid CAS Name: 3-[6-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,5-dimethyl-1,6-dioxohexoxy]-1-adamantanecarboxylic acid IUPAC Name: 3-[6-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-2,5-dimethyl-6-oxohexanoyl]oxyadamantane-1-carboxylic acid Traditional Name: 3-[6-[(4-hydroxy-4-methyl-1-adamantyl)oxy]-6-keto-2,5-dimethyl-hexanoyl]oxyadamantane-1-carboxylic acid Formula: C30H44O7 MolecularWeight: 516.66616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44O7/c1-17(24(31)36-29-11-19-7-22(14-29)27(3,35)23(8-19)15-29)4-5-18(2)25(32)37-30-12-20-6-21(13-30)10-28(9-20,16-30)26(33)34/h17-23,35H,4-16H2,1-3H3,(H,33,34)