3-(2,4-dichlorophenyl)-3-oxidanyl-2-phenyl-2-propan-2-yloxy-hept-4-ynoic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-3-oxidanyl-2-phenyl-2-propan-2-yloxy-hept-4-ynoic acid Openeye Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-isopropoxy-2-phenyl-hept-4-ynoic acid CAS Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-phenyl-2-propan-2-yloxy-4-heptynoic acid IUPAC Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-phenyl-2-propan-2-yloxyhept-4-ynoic acid Traditional Name: 3-(2,4-dichlorophenyl)-3-hydroxy-2-isopropoxy-2-phenyl-hept-4-ynoic acid Formula: C22H22Cl2O4 MolecularWeight: 421.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=C(C=C(C=C1)Cl)Cl)(C(C2=CC=CC=C2)(C(=O)O)OC(C)C)O

Isomeric SMILES

CCC#CC(C1=C(C=C(C=C1)Cl)Cl)(C(C2=CC=CC=C2)(C(=O)O)OC(C)C)O

InChI

InChI=1S/C22H22Cl2O4/c1-4-5-13-21(27,18-12-11-17(23)14-19(18)24)22(20(25)26,28-15(2)3)16-9-7-6-8-10-16/h6-12,14-15,27H,4H2,1-3H3,(H,25,26)