3-(1-oxidanyl-4,4-diphenyl-cyclohexyl)prop-2-ynoic acid

Systemtic Name: 3-(1-oxidanyl-4,4-diphenyl-cyclohexyl)prop-2-ynoic acid Openeye Name: 3-(1-hydroxy-4,4-diphenyl-cyclohexyl)prop-2-ynoic acid CAS Name: 3-(1-hydroxy-4,4-diphenylcyclohexyl)-2-propynoic acid IUPAC Name: 3-(1-hydroxy-4,4-diphenylcyclohexyl)prop-2-ynoic acid Traditional Name: 3-(1-hydroxy-4,4-diphenyl-cyclohexyl)propiolic acid Formula: C21H20O3 MolecularWeight: 320.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1(C#CC(=O)O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1(C#CC(=O)O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O3/c22-19(23)11-12-20(24)13-15-21(16-14-20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,24H,13-16H2,(H,22,23)