4,7-bis[3-fluoranyl-4-(9-penta-1,4-dien-3-yloxynonoxy)phenyl]-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis[3-fluoranyl-4-(9-penta-1,4-dien-3-yloxynonoxy)phenyl]-2,1,3-benzothiadiazole Openeye Name: 4,7-bis[3-fluoro-4-[9-(1-vinylallyloxy)nonoxy]phenyl]-2,1,3-benzothiadiazole CAS Name: 4,7-bis[3-fluoro-4-(9-penta-1,4-dien-3-yloxynonoxy)phenyl]-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis[3-fluoro-4-(9-penta-1,4-dien-3-yloxynonoxy)phenyl]-2,1,3-benzothiadiazole Traditional Name: 4,7-bis[3-fluoro-4-[9-(1-vinylallyloxy)nonoxy]phenyl]piazthiole Formula: C46H58F2N2O4S MolecularWeight: 773.025526

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C=C)OCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(C=C4)OCCCCCCCCCOC(C=C)C=C)F)F

Isomeric SMILES

C=CC(C=C)OCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(C=C4)OCCCCCCCCCOC(C=C)C=C)F)F

InChI

InChI=1S/C46H58F2N2O4S/c1-5-37(6-2)51-29-19-15-11-9-13-17-21-31-53-43-27-23-35(33-41(43)47)39-25-26-40(46-45(39)49-55-50-46)36-24-28-44(42(48)34-36)54-32-22-18-14-10-12-16-20-30-52-38(7-3)8-4/h5-8,23-28,33-34,37-38H,1-4,9-22,29-32H2