(5R,7R)-3-(carboxymethylsulfanyl)adamantane-1-carboxylic acid

Systemtic Name: (5R,7R)-3-(carboxymethylsulfanyl)adamantane-1-carboxylic acid Openeye Name: (5R,7R)-3-(carboxymethylsulfanyl)adamantane-1-carboxylic acid CAS Name: (5R,7R)-3-(carboxymethylthio)-1-adamantanecarboxylic acid IUPAC Name: (5R,7R)-3-(carboxymethylsulfanyl)adamantane-1-carboxylic acid Traditional Name: (5R,7R)-3-(carboxymethylthio)adamantane-1-carboxylic acid Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)SCC(=O)O)C(=O)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H]1CC(C2)(C3)SCC(=O)O)C(=O)O

InChI

InChI=1S/C13H18O4S/c14-10(15)6-18-13-4-8-1-9(5-13)3-12(2-8,7-13)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)/t8-,9-,12?,13?/m1/s1