5-phenoxycarbonyladamantane-1,3-dicarboxylic acid

Systemtic Name: 5-phenoxycarbonyladamantane-1,3-dicarboxylic acid Openeye Name: 5-phenoxycarbonyladamantane-1,3-dicarboxylic acid CAS Name: 5-[oxo(phenoxy)methyl]adamantane-1,3-dicarboxylic acid IUPAC Name: 5-phenoxycarbonyladamantane-1,3-dicarboxylic acid Traditional Name: 5-carbophenoxyadamantane-1,3-dicarboxylic acid Formula: C19H20O6 MolecularWeight: 344.3585

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20O6/c20-14(21)17-6-12-7-18(9-17,15(22)23)11-19(8-12,10-17)16(24)25-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,21)(H,22,23)