2,2,4,6-tetramethyl-4-(3-methyl-2-oxidanylidene-oxolan-3-yl)oxycarbonyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]octanoic acid

Systemtic Name: 2,2,4,6-tetramethyl-4-(3-methyl-2-oxidanylidene-oxolan-3-yl)oxycarbonyl-6-[(3-oxidanyl-1-adamantyl)oxycarbonyl]octanoic acid Openeye Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(3-methyl-2-oxo-tetrahydrofuran-3-yl)oxycarbonyl-octanoic acid CAS Name: 6-[(3-hydroxy-1-adamantyl)oxy-oxomethyl]-2,2,4,6-tetramethyl-4-[(3-methyl-2-oxo-3-oxolanyl)oxy-oxomethyl]octanoic acid IUPAC Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4,6-tetramethyl-4-(3-methyl-2-oxooxolan-3-yl)oxycarbonyloctanoic acid Traditional Name: 6-[(3-hydroxy-1-adamantyl)oxycarbonyl]-4-(2-keto-3-methyl-tetrahydrofuran-3-yl)oxycarbonyl-2,2,4,6-tetramethyl-caprylic acid Formula: C29H44O9 MolecularWeight: 536.65426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1(CCOC1=O)C)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1(CCOC1=O)C)C(=O)OC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C29H44O9/c1-7-25(4,21(32)38-29-13-18-10-19(14-29)12-28(35,11-18)17-29)16-26(5,15-24(2,3)20(30)31)22(33)37-27(6)8-9-36-23(27)34/h18-19,35H,7-17H2,1-6H3,(H,30,31)