5-(1-adamantyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(1-adamantyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(1-adamantyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(1-adamantyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(1-adamantyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(1-adamantyl)isophthalic acid Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4/c19-16(20)13-4-14(17(21)22)6-15(5-13)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H,19,20)(H,21,22)