6,6-diethyl-7-(hydroxymethyl)adamantane-1,3,5-tricarboxylic acid

Systemtic Name: 6,6-diethyl-7-(hydroxymethyl)adamantane-1,3,5-tricarboxylic acid Openeye Name: 6,6-diethyl-7-(hydroxymethyl)adamantane-1,3,5-tricarboxylic acid CAS Name: 6,6-diethyl-7-(hydroxymethyl)adamantane-1,3,5-tricarboxylic acid IUPAC Name: 6,6-diethyl-7-(hydroxymethyl)adamantane-1,3,5-tricarboxylic acid Traditional Name: 6,6-diethyl-7-methylol-adamantane-1,3,5-tricarboxylic acid Formula: C18H26O7 MolecularWeight: 354.39484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2(CC3(CC(C2)(CC1(C3)C(=O)O)C(=O)O)C(=O)O)CO)CC

Isomeric SMILES

CCC1(C2(CC3(CC(C2)(CC1(C3)C(=O)O)C(=O)O)C(=O)O)CO)CC

InChI

InChI=1S/C18H26O7/c1-3-18(4-2)16(10-19)6-14(11(20)21)5-15(7-16,12(22)23)9-17(18,8-14)13(24)25/h19H,3-10H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)