4-[2-(4-carboxyphenyl)-2-methyl-cyclohexyl]benzoic acid

Systemtic Name: 4-[2-(4-carboxyphenyl)-2-methyl-cyclohexyl]benzoic acid Openeye Name: 4-[2-(4-carboxyphenyl)-2-methyl-cyclohexyl]benzoic acid CAS Name: 4-[2-(4-carboxyphenyl)-2-methylcyclohexyl]benzoic acid IUPAC Name: 4-[2-(4-carboxyphenyl)-2-methylcyclohexyl]benzoic acid Traditional Name: 4-[2-(4-carboxyphenyl)-2-methyl-cyclohexyl]benzoic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1(CCCCC1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22O4/c1-21(17-11-9-16(10-12-17)20(24)25)13-3-2-4-18(21)14-5-7-15(8-6-14)19(22)23/h5-12,18H,2-4,13H2,1H3,(H,22,23)(H,24,25)