2,2,4-trimethyl-4-(oxan-2-yloxycarbonyl)-6-[(4-oxidanylidene-1-adamantyl)oxycarbonyl]octanoic acid

Systemtic Name: 2,2,4-trimethyl-4-(oxan-2-yloxycarbonyl)-6-[(4-oxidanylidene-1-adamantyl)oxycarbonyl]octanoic acid Openeye Name: 2,2,4-trimethyl-6-[(4-oxo-1-adamantyl)oxycarbonyl]-4-tetrahydropyran-2-yloxycarbonyl-octanoic acid CAS Name: 2,2,4-trimethyl-4-[2-oxanyloxy(oxo)methyl]-6-[oxo-[(4-oxo-1-adamantyl)oxy]methyl]octanoic acid IUPAC Name: 2,2,4-trimethyl-4-(oxan-2-yloxycarbonyl)-6-[(4-oxo-1-adamantyl)oxycarbonyl]octanoic acid Traditional Name: 6-[(4-keto-1-adamantyl)oxycarbonyl]-2,2,4-trimethyl-4-tetrahydropyran-2-yloxycarbonyl-caprylic acid Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CCCCO1)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3

Isomeric SMILES

CCC(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CCCCO1)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3

InChI

InChI=1S/C28H42O8/c1-5-18(23(30)36-28-12-17-10-19(14-28)22(29)20(11-17)15-28)13-27(4,16-26(2,3)24(31)32)25(33)35-21-8-6-7-9-34-21/h17-21H,5-16H2,1-4H3,(H,31,32)