[(2S)-2-(1-adamantylcarbonyloxy)-3-oxidanyl-propyl] adamantane-1-carboxylate

Systemtic Name: [(2S)-2-(1-adamantylcarbonyloxy)-3-oxidanyl-propyl] adamantane-1-carboxylate Openeye Name: [(2S)-2-(adamantane-1-carbonyloxy)-3-hydroxy-propyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2S)-2-[1-adamantyl(oxo)methoxy]-3-hydroxypropyl] ester IUPAC Name: [(2S)-2-(adamantane-1-carbonyloxy)-3-hydroxypropyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(2S)-2-(adamantane-1-carbonyloxy)-3-hydroxy-propyl] ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(CO)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC[C@H](CO)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H36O5/c26-13-21(30-23(28)25-10-18-4-19(11-25)6-20(5-18)12-25)14-29-22(27)24-7-15-1-16(8-24)3-17(2-15)9-24/h15-21,26H,1-14H2/t15?,16?,17?,18?,19?,20?,21-,24?,25?/m0/s1