(2Z)-2-[(3,4-dihexoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[(3,4-dihexoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one Openeye Name: (2Z)-2-[(3,4-dihexoxyphenyl)methylene]-7-(1-propylnonadecyl)benzothiophen-3-one CAS Name: (2Z)-2-[(3,4-dihexoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[(3,4-dihexoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one Traditional Name: (2Z)-2-(3,4-dihexoxybenzylidene)-7-(1-propylnonadecyl)benzothiophen-3-one Formula: C49H78O3S MolecularWeight: 747.20682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCC)C1=CC=CC2=C1SC(=CC3=CC(=C(C=C3)OCCCCCC)OCCCCCC)C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCC)C1=CC=CC2=C1S/C(=C\C3=CC(=C(C=C3)OCCCCCC)OCCCCCC)/C2=O

InChI

InChI=1S/C49H78O3S/c1-5-9-12-15-16-17-18-19-20-21-22-23-24-25-26-27-32-42(31-8-4)43-33-30-34-44-48(50)47(53-49(43)44)40-41-35-36-45(51-37-28-13-10-6-2)46(39-41)52-38-29-14-11-7-3/h30,33-36,39-40,42H,5-29,31-32,37-38H2,1-4H3/b47-40-