4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid

Systemtic Name: 4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid CAS Name: 4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid IUPAC Name: 4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)cyclododecyl]benzoic acid Formula: C26H32O4 MolecularWeight: 408.52988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H32O4/c27-24(28)20-10-14-22(15-11-20)26(23-16-12-21(13-17-23)25(29)30)18-8-6-4-2-1-3-5-7-9-19-26/h10-17H,1-9,18-19H2,(H,27,28)(H,29,30)