4-[4-(2,2-dicyclohexylethanoyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(2,2-dicyclohexylethanoyl)phenyl]benzoic acid Openeye Name: 4-[4-(2,2-dicyclohexylacetyl)phenyl]benzoic acid CAS Name: 4-[4-(2,2-dicyclohexyl-1-oxoethyl)phenyl]benzoic acid IUPAC Name: 4-[4-(2,2-dicyclohexylacetyl)phenyl]benzoic acid Traditional Name: 4-[4-(2,2-dicyclohexylacetyl)phenyl]benzoic acid Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H32O3/c28-26(25(21-7-3-1-4-8-21)22-9-5-2-6-10-22)23-15-11-19(12-16-23)20-13-17-24(18-14-20)27(29)30/h11-18,21-22,25H,1-10H2,(H,29,30)