3-methoxycarbonyladamantane-1-carboxylic acid

Systemtic Name: 3-methoxycarbonyladamantane-1-carboxylic acid Openeye Name: 3-methoxycarbonyladamantane-1-carboxylic acid CAS Name: 3-methoxycarbonyl-1-adamantanecarboxylic acid IUPAC Name: 3-methoxycarbonyladamantane-1-carboxylic acid Traditional Name: 3-carbomethoxyadamantane-1-carboxylic acid Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C13H18O4/c1-17-11(16)13-5-8-2-9(6-13)4-12(3-8,7-13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)