3,5-bis(phenoxycarbonyl)adamantane-1-carboxylic acid

Systemtic Name: 3,5-bis(phenoxycarbonyl)adamantane-1-carboxylic acid Openeye Name: 3,5-bis(phenoxycarbonyl)adamantane-1-carboxylic acid CAS Name: 3,5-bis[oxo(phenoxy)methyl]-1-adamantanecarboxylic acid IUPAC Name: 3,5-bis(phenoxycarbonyl)adamantane-1-carboxylic acid Traditional Name: 3,5-dicarbophenoxyadamantane-1-carboxylic acid Formula: C25H24O6 MolecularWeight: 420.45446

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H24O6/c26-20(27)23-11-17-12-24(14-23,21(28)30-18-7-3-1-4-8-18)16-25(13-17,15-23)22(29)31-19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,26,27)