2-(2-adamantyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-(2-adamantyl)benzene-1,3-dicarboxylic acid Openeye Name: 2-(2-adamantyl)benzene-1,3-dicarboxylic acid CAS Name: 2-(2-adamantyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2-adamantyl)benzene-1,3-dicarboxylic acid Traditional Name: 2-(2-adamantyl)isophthalic acid Formula: C18H20O4 MolecularWeight: 300.349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=C(C=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=C(C=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C18H20O4/c19-17(20)13-2-1-3-14(18(21)22)16(13)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15H,4-8H2,(H,19,20)(H,21,22)