7-(2-oxidanylbutan-2-yl)adamantane-1,3,5-tricarboxylic acid

Systemtic Name: 7-(2-oxidanylbutan-2-yl)adamantane-1,3,5-tricarboxylic acid Openeye Name: 7-(1-hydroxy-1-methyl-propyl)adamantane-1,3,5-tricarboxylic acid CAS Name: 7-(2-hydroxybutan-2-yl)adamantane-1,3,5-tricarboxylic acid IUPAC Name: 7-(2-hydroxybutan-2-yl)adamantane-1,3,5-tricarboxylic acid Traditional Name: 7-(1-hydroxy-1-methyl-propyl)adamantane-1,3,5-tricarboxylic acid Formula: C17H24O7 MolecularWeight: 340.36826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CCC(C)(C12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C17H24O7/c1-3-13(2,24)17-7-14(10(18)19)4-15(8-17,11(20)21)6-16(5-14,9-17)12(22)23/h24H,3-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)