3,5,7-tris(oxan-2-yloxycarbonyl)adamantane-1-carboxylic acid

Systemtic Name: 3,5,7-tris(oxan-2-yloxycarbonyl)adamantane-1-carboxylic acid Openeye Name: 3,5,7-tris(tetrahydropyran-2-yloxycarbonyl)adamantane-1-carboxylic acid CAS Name: 3,5,7-tris[2-oxanyloxy(oxo)methyl]-1-adamantanecarboxylic acid IUPAC Name: 3,5,7-tris(oxan-2-yloxycarbonyl)adamantane-1-carboxylic acid Traditional Name: 3,5,7-tris(tetrahydropyran-2-yloxycarbonyl)adamantane-1-carboxylic acid Formula: C29H40O11 MolecularWeight: 564.6213

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(=O)C23CC4(CC(C2)(CC(C4)(C3)C(=O)OC5CCCCO5)C(=O)OC6CCCCO6)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(=O)C23CC4(CC(C2)(CC(C4)(C3)C(=O)OC5CCCCO5)C(=O)OC6CCCCO6)C(=O)O

InChI

InChI=1S/C29H40O11/c30-22(31)26-13-27(23(32)38-19-7-1-4-10-35-19)16-28(14-26,24(33)39-20-8-2-5-11-36-20)18-29(15-26,17-27)25(34)40-21-9-3-6-12-37-21/h19-21H,1-18H2,(H,30,31)