[2-(1-adamantyl)-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (3S)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (3S)-1-oxoisochromane-3-carboxylate CAS Name: (3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3S)-1-ketoisochroman-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24O5/c23-19(22-9-13-5-14(10-22)7-15(6-13)11-22)12-26-21(25)18-8-16-3-1-2-4-17(16)20(24)27-18/h1-4,13-15,18H,5-12H2/t13?,14?,15?,18-,22?/m0/s1