2-(2-cyclohepta-2,4,6-trien-1-yl-1-benzothiophen-3-yl)-5-octadecyl-furan

Systemtic Name: 2-(2-cyclohepta-2,4,6-trien-1-yl-1-benzothiophen-3-yl)-5-octadecyl-furan Openeye Name: 2-(2-cyclohepta-2,4,6-trien-1-ylbenzothiophen-3-yl)-5-octadecyl-furan CAS Name: 2-[2-(1-cyclohepta-2,4,6-trienyl)-1-benzothiophen-3-yl]-5-octadecylfuran IUPAC Name: 2-(2-cyclohepta-2,4,6-trien-1-yl-1-benzothiophen-3-yl)-5-octadecylfuran Traditional Name: 2-(2-cyclohepta-2,4,6-trien-1-ylbenzothiophen-3-yl)-5-stearyl-furan Formula: C37H50OS MolecularWeight: 542.8573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(O1)C2=C(SC3=CC=CC=C32)C4C=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(O1)C2=C(SC3=CC=CC=C32)C4C=CC=CC=C4

InChI

InChI=1S/C37H50OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-32-29-30-34(38-32)36-33-27-22-23-28-35(33)39-37(36)31-24-19-17-18-20-25-31/h17-20,22-25,27-31H,2-16,21,26H2,1H3