O4-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 4-O-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H26O5/c1-13(27-21(25)18-5-3-17(4-6-18)20(24)26-2)19(23)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,7-12H2,1-2H3/t13-,14?,15?,16?,22?/m1/s1