5-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]adamantane-1,3-dicarboxylic acid

Systemtic Name: 5-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]adamantane-1,3-dicarboxylic acid Openeye Name: 5-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]adamantane-1,3-dicarboxylic acid CAS Name: 5-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]adamantane-1,3-dicarboxylic acid IUPAC Name: 5-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]adamantane-1,3-dicarboxylic acid Traditional Name: 5-[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]adamantane-1,3-dicarboxylic acid Formula: C16H20O6 MolecularWeight: 308.3264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)/C(=O)O

InChI

InChI=1S/C16H20O6/c1-9(11(17)18)2-14-3-10-4-15(6-14,12(19)20)8-16(5-10,7-14)13(21)22/h2,10H,3-8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b9-2+