1-fluoranyl-6-(4-heptan-2-yloxyphenyl)-3-hexoxy-3-phenyl-cyclohexa-1,4-diene

Systemtic Name: 1-fluoranyl-6-(4-heptan-2-yloxyphenyl)-3-hexoxy-3-phenyl-cyclohexa-1,4-diene Openeye Name: 1-fluoro-3-hexoxy-6-[4-(1-methylhexoxy)phenyl]-3-phenyl-cyclohexa-1,4-diene CAS Name: 1-fluoro-6-(4-heptan-2-yloxyphenyl)-3-hexoxy-3-phenylcyclohexa-1,4-diene IUPAC Name: 1-fluoro-6-(4-heptan-2-yloxyphenyl)-3-hexoxy-3-phenylcyclohexa-1,4-diene Traditional Name: 1-fluoro-3-hexoxy-6-[4-(1-methylhexoxy)phenyl]-3-phenyl-cyclohexa-1,4-diene Formula: C31H41FO2 MolecularWeight: 464.654443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C=CC(C(=C1)F)C2=CC=C(C=C2)OC(C)CCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1(C=CC(C(=C1)F)C2=CC=C(C=C2)OC(C)CCCCC)C3=CC=CC=C3

InChI

InChI=1S/C31H41FO2/c1-4-6-8-13-23-33-31(27-15-11-9-12-16-27)22-21-29(30(32)24-31)26-17-19-28(20-18-26)34-25(3)14-10-7-5-2/h9,11-12,15-22,24-25,29H,4-8,10,13-14,23H2,1-3H3