3-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-3,4-dipentoxy-4-phenyl-cyclohexa-1,5-dien-1-ol

Systemtic Name: 3-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-3,4-dipentoxy-4-phenyl-cyclohexa-1,5-dien-1-ol Openeye Name: 3-(2,3-difluoro-4-octoxy-phenyl)-3,4-dipentoxy-4-phenyl-cyclohexa-1,5-dien-1-ol CAS Name: 3-(2,3-difluoro-4-octoxyphenyl)-3,4-dipentoxy-4-phenyl-1-cyclohexa-1,5-dienol IUPAC Name: 3-(2,3-difluoro-4-octoxyphenyl)-3,4-dipentoxy-4-phenylcyclohexa-1,5-dien-1-ol Traditional Name: 3,4-diamoxy-3-(2,3-difluoro-4-octoxy-phenyl)-4-phenyl-cyclohexa-1,5-dien-1-ol Formula: C36H50F2O4 MolecularWeight: 584.776606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2(C=C(C=CC2(C3=CC=CC=C3)OCCCCC)O)OCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2(C=C(C=CC2(C3=CC=CC=C3)OCCCCC)O)OCCCCC)F)F

InChI

InChI=1S/C36H50F2O4/c1-4-7-10-11-12-18-25-40-32-22-21-31(33(37)34(32)38)36(42-27-17-9-6-3)28-30(39)23-24-35(36,41-26-16-8-5-2)29-19-14-13-15-20-29/h13-15,19-24,28,39H,4-12,16-18,25-27H2,1-3H3