2,5-bis[[3-fluoranyl-4-(6-prop-2-enoyloxyhexoxy)phenyl]carbonyloxy]benzoic acid

Systemtic Name: 2,5-bis[[3-fluoranyl-4-(6-prop-2-enoyloxyhexoxy)phenyl]carbonyloxy]benzoic acid Openeye Name: 2,5-bis[[3-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoic acid CAS Name: 2,5-bis[[3-fluoro-4-[6-(1-oxoprop-2-enoxy)hexoxy]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 2,5-bis[[3-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoic acid Traditional Name: 2,5-bis[[4-(6-acryloyloxyhexoxy)-3-fluoro-benzoyl]oxy]benzoic acid Formula: C39H40F2O12 MolecularWeight: 738.724506

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCOC(=O)C=C)F)C(=O)O)F

Isomeric SMILES

C=CC(=O)OCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCOC(=O)C=C)F)C(=O)O)F

InChI

InChI=1S/C39H40F2O12/c1-3-35(42)50-21-11-7-5-9-19-48-33-16-13-26(23-30(33)40)38(46)52-28-15-18-32(29(25-28)37(44)45)53-39(47)27-14-17-34(31(41)24-27)49-20-10-6-8-12-22-51-36(43)4-2/h3-4,13-18,23-25H,1-2,5-12,19-22H2,(H,44,45)