3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid

Systemtic Name: 3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid Openeye Name: 3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid CAS Name: 3,5,7-tris[oxo(phenoxy)methyl]-1-adamantanecarboxylic acid IUPAC Name: 3,5,7-tris(phenoxycarbonyl)adamantane-1-carboxylic acid Traditional Name: 3,5,7-tricarbophenoxyadamantane-1-carboxylic acid Formula: C32H28O8 MolecularWeight: 540.55992

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5)C(=O)OC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5)C(=O)OC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C32H28O8/c33-25(34)29-16-30(26(35)38-22-10-4-1-5-11-22)19-31(17-29,27(36)39-23-12-6-2-7-13-23)21-32(18-29,20-30)28(37)40-24-14-8-3-9-15-24/h1-15H,16-21H2,(H,33,34)