5-(2-oxidanylbutan-2-yl)adamantane-1,3-dicarboxylic acid

Systemtic Name: 5-(2-oxidanylbutan-2-yl)adamantane-1,3-dicarboxylic acid Openeye Name: 5-(1-hydroxy-1-methyl-propyl)adamantane-1,3-dicarboxylic acid CAS Name: 5-(2-hydroxybutan-2-yl)adamantane-1,3-dicarboxylic acid IUPAC Name: 5-(2-hydroxybutan-2-yl)adamantane-1,3-dicarboxylic acid Traditional Name: 5-(1-hydroxy-1-methyl-propyl)adamantane-1,3-dicarboxylic acid Formula: C16H24O5 MolecularWeight: 296.35876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)O

Isomeric SMILES

CCC(C)(C12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)O

InChI

InChI=1S/C16H24O5/c1-3-13(2,21)16-6-10-4-14(8-16,11(17)18)7-15(5-10,9-16)12(19)20/h10,21H,3-9H2,1-2H3,(H,17,18)(H,19,20)