O1-chloranyl O3-(diphenylmethyl) 2-(2-fluoranyl-4-oxidanyl-phenyl)propanedioate

Systemtic Name: O1-chloranyl O3-(diphenylmethyl) 2-(2-fluoranyl-4-oxidanyl-phenyl)propanedioate Openeye Name: O1-benzhydryl O3-chloro 2-(2-fluoro-4-hydroxy-phenyl)propanedioate CAS Name: 2-(2-fluoro-4-hydroxyphenyl)propanedioic acid O1-chloro ester O3-(diphenylmethyl) ester IUPAC Name: 1-O-benzhydryl 3-O-chloro 2-(2-fluoro-4-hydroxyphenyl)propanedioate Traditional Name: 2-(2-fluoro-4-hydroxy-phenyl)malonic acid O1-benzhydryl ester O3-chloro ester Formula: C22H16ClFO5 MolecularWeight: 414.810843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(C3=C(C=C(C=C3)O)F)C(=O)OCl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(C3=C(C=C(C=C3)O)F)C(=O)OCl

InChI

InChI=1S/C22H16ClFO5/c23-29-22(27)19(17-12-11-16(25)13-18(17)24)21(26)28-20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19-20,25H