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

Systemtic Name: 2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxycarbonyl]-4-(3-methyl-2-oxidanylidene-oxan-4-yl)oxycarbonyl-octanoic acid Openeye Name: 2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxycarbonyl]-4-(3-methyl-2-oxo-tetrahydropyran-4-yl)oxycarbonyl-octanoic acid CAS Name: 2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxy-oxomethyl]-4-[(3-methyl-2-oxo-4-oxanyl)oxy-oxomethyl]octanoic acid IUPAC Name: 2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxycarbonyl]-4-(3-methyl-2-oxooxan-4-yl)oxycarbonyloctanoic acid Traditional Name: 4-(2-keto-3-methyl-tetrahydropyran-4-yl)oxycarbonyl-2,2,4,6-tetramethyl-6-[(2-methyl-2-adamantyl)oxycarbonyl]caprylic acid Formula: C31H48O8 MolecularWeight: 548.70802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CCOC(=O)C1C)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CCOC(=O)C1C)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C31H48O8/c1-8-29(5,27(36)39-31(7)21-12-19-11-20(14-21)15-22(31)13-19)17-30(6,16-28(3,4)25(33)34)26(35)38-23-9-10-37-24(32)18(23)2/h18-23H,8-17H2,1-7H3,(H,33,34)