(2E)-2-[(4-docosyl-3,5-dihexyl-phenyl)methylidene]-1-benzofuran-3-thione

Systemtic Name: (2E)-2-[(4-docosyl-3,5-dihexyl-phenyl)methylidene]-1-benzofuran-3-thione Openeye Name: (2E)-2-[(4-docosyl-3,5-dihexyl-phenyl)methylene]benzofuran-3-thione CAS Name: (2E)-2-[(4-docosyl-3,5-dihexylphenyl)methylidene]-3-benzofuranthione IUPAC Name: (2E)-2-[(4-docosyl-3,5-dihexylphenyl)methylidene]-1-benzofuran-3-thione Traditional Name: (2E)-2-(4-behenyl-3,5-dihexyl-benzylidene)coumaran-3-thione Formula: C49H78OS MolecularWeight: 715.20802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1CCCCCC)C=C2C(=S)C3=CC=CC=C3O2)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1CCCCCC)/C=C/2\C(=S)C3=CC=CC=C3O2)CCCCCC

InChI

InChI=1S/C49H78OS/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-36-45-43(34-29-11-8-5-2)39-42(40-44(45)35-30-12-9-6-3)41-48-49(51)46-37-32-33-38-47(46)50-48/h32-33,37-41H,4-31,34-36H2,1-3H3/b48-41+