3-[(3-carboxy-1-adamantyl)-chloranyl-phosphoryl]adamantane-1-carboxylic acid

Systemtic Name: 3-[(3-carboxy-1-adamantyl)-chloranyl-phosphoryl]adamantane-1-carboxylic acid Openeye Name: 3-[(3-carboxy-1-adamantyl)-chloro-phosphoryl]adamantane-1-carboxylic acid CAS Name: 3-[(3-carboxy-1-adamantyl)-chlorophosphoryl]-1-adamantanecarboxylic acid IUPAC Name: 3-[(3-carboxy-1-adamantyl)-chlorophosphoryl]adamantane-1-carboxylic acid Traditional Name: 3-[(3-carboxy-1-adamantyl)-chloro-phosphoryl]adamantane-1-carboxylic acid Formula: C22H30ClO5P MolecularWeight: 440.897361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)P(=O)(C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)P(=O)(C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C22H30ClO5P/c23-29(28,21-7-13-1-14(8-21)4-19(3-13,11-21)17(24)25)22-9-15-2-16(10-22)6-20(5-15,12-22)18(26)27/h13-16H,1-12H2,(H,24,25)(H,26,27)