2-[8-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[8-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[8-(2-benzoyl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: 2-[8-(2-benzoyl-4-chlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[8-(2-benzoyl-4-chlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: 2-[8-(2-benzoyl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C25H29ClO7 MolecularWeight: 476.94656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C25H29ClO7/c26-19-13-12-17(21(14-19)23(30)18-9-5-3-6-10-18)8-4-1-2-7-11-20(27)15-25(33,24(31)32)16-22(28)29/h3,5-6,9-10,12-14,20,27,33H,1-2,4,7-8,11,15-16H2,(H,28,29)(H,31,32)