3-(4-chlorophenyl)adamantane-1-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)adamantane-1-carboxylic acid Openeye Name: 3-(4-chlorophenyl)adamantane-1-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-adamantanecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)adamantane-1-carboxylic acid Traditional Name: 3-(4-chlorophenyl)adamantane-1-carboxylic acid Formula: C17H19ClO2 MolecularWeight: 290.78456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H19ClO2/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12H,5-10H2,(H,19,20)