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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC=C4C(=O)O)C(=O)O

InChI

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