(2E)-7-butyl-2-[(3,4-dioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-7-butyl-2-[(3,4-dioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-7-butyl-2-[(3,4-dioctadecoxyphenyl)methylene]benzothiophen-3-one CAS Name: (2E)-7-butyl-2-[(3,4-dioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-7-butyl-2-[(3,4-dioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-7-butyl-2-(3,4-distearyloxybenzylidene)benzothiophen-3-one Formula: C55H90O3S MolecularWeight: 831.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)C3=C(S2)C(=CC=C3)CCCC)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)C3=C(S2)C(=CC=C3)CCCC)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H90O3S/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-44-57-51-43-42-48(47-53-54(56)50-41-38-40-49(39-9-6-3)55(50)59-53)46-52(51)58-45-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h38,40-43,46-47H,4-37,39,44-45H2,1-3H3/b53-47+