5-cyclohexylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-cyclohexylbenzene-1,3-dicarboxylic acid Openeye Name: 5-cyclohexylbenzene-1,3-dicarboxylic acid CAS Name: 5-cyclohexylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-cyclohexylbenzene-1,3-dicarboxylic acid Traditional Name: 5-cyclohexylisophthalic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O4/c15-13(16)11-6-10(7-12(8-11)14(17)18)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)(H,17,18)