4-[1-(4-carboxyphenyl)-3-methyl-cyclohexyl]benzoic acid

Systemtic Name: 4-[1-(4-carboxyphenyl)-3-methyl-cyclohexyl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)-3-methyl-cyclohexyl]benzoic acid CAS Name: 4-[1-(4-carboxyphenyl)-3-methylcyclohexyl]benzoic acid IUPAC Name: 4-[1-(4-carboxyphenyl)-3-methylcyclohexyl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)-3-methyl-cyclohexyl]benzoic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCCC(C1)(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22O4/c1-14-3-2-12-21(13-14,17-8-4-15(5-9-17)19(22)23)18-10-6-16(7-11-18)20(24)25/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)(H,24,25)