(2Z)-2-[(4-butylphenyl)methylidene]-7-henicosan-4-yl-1-benzofuran-3-thione

Systemtic Name: (2Z)-2-[(4-butylphenyl)methylidene]-7-henicosan-4-yl-1-benzofuran-3-thione Openeye Name: (2Z)-2-[(4-butylphenyl)methylene]-7-(1-propyloctadecyl)benzofuran-3-thione CAS Name: (2Z)-2-[(4-butylphenyl)methylidene]-7-heneicosan-4-yl-3-benzofuranthione IUPAC Name: (2Z)-2-[(4-butylphenyl)methylidene]-7-henicosan-4-yl-1-benzofuran-3-thione Traditional Name: (2Z)-2-(4-butylbenzylidene)-7-(1-propyloctadecyl)coumaran-3-thione Formula: C40H60OS MolecularWeight: 588.9688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC)C1=CC=CC2=C1OC(=CC3=CC=C(C=C3)CCCC)C2=S

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC)C1=CC=CC2=C1O/C(=C\C3=CC=C(C=C3)CCCC)/C2=S

InChI

InChI=1S/C40H60OS/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-35(23-6-3)36-26-22-27-37-39(36)41-38(40(37)42)32-34-30-28-33(29-31-34)24-8-5-2/h22,26-32,35H,4-21,23-25H2,1-3H3/b38-32-