(2E)-7-butyl-2-[(3,4,5-trioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-7-butyl-2-[(3,4,5-trioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-7-butyl-2-[(3,4,5-trioctadecoxyphenyl)methylene]benzothiophen-3-one CAS Name: (2E)-7-butyl-2-[(3,4,5-trioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-7-butyl-2-[(3,4,5-trioctadecoxyphenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-7-butyl-2-(3,4,5-tristearyloxybenzylidene)benzothiophen-3-one Formula: C73H126O4S MolecularWeight: 1099.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)C=C2C(=O)C3=C(S2)C(=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)/C=C/2\C(=O)C3=C(S2)C(=CC=C3)CCCC

InChI

InChI=1S/C73H126O4S/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-52-59-75-68-62-65(64-70-71(74)67-58-55-57-66(56-12-8-4)73(67)78-70)63-69(76-60-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)72(68)77-61-54-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h55,57-58,62-64H,5-54,56,59-61H2,1-4H3/b70-64+