7-phenoxycarbonyladamantane-1,3,5-tricarboxylic acid

Systemtic Name: 7-phenoxycarbonyladamantane-1,3,5-tricarboxylic acid Openeye Name: 7-phenoxycarbonyladamantane-1,3,5-tricarboxylic acid CAS Name: 7-[oxo(phenoxy)methyl]adamantane-1,3,5-tricarboxylic acid IUPAC Name: 7-phenoxycarbonyladamantane-1,3,5-tricarboxylic acid Traditional Name: 7-carbophenoxyadamantane-1,3,5-tricarboxylic acid Formula: C20H20O8 MolecularWeight: 388.368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20O8/c21-13(22)17-6-18(14(23)24)8-19(7-17,15(25)26)11-20(9-17,10-18)16(27)28-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,21,22)(H,23,24)(H,25,26)