5-(hydroxymethyl)adamantane-1,3-dicarboxylic acid

Systemtic Name: 5-(hydroxymethyl)adamantane-1,3-dicarboxylic acid Openeye Name: 5-(hydroxymethyl)adamantane-1,3-dicarboxylic acid CAS Name: 5-(hydroxymethyl)adamantane-1,3-dicarboxylic acid IUPAC Name: 5-(hydroxymethyl)adamantane-1,3-dicarboxylic acid Traditional Name: 5-methyloladamantane-1,3-dicarboxylic acid Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1(CC(C2)(C3)C(=O)O)CO)C(=O)O

Isomeric SMILES

C1C2CC3(CC1(CC(C2)(C3)C(=O)O)CO)C(=O)O

InChI

InChI=1S/C13H18O5/c14-7-11-1-8-2-12(4-11,9(15)16)6-13(3-8,5-11)10(17)18/h8,14H,1-7H2,(H,15,16)(H,17,18)