(2Z)-7-docosan-4-yl-2-[(3,4,5-triheptoxyphenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-7-docosan-4-yl-2-[(3,4,5-triheptoxyphenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-7-(1-propylnonadecyl)-2-[(3,4,5-triheptoxyphenyl)methylene]benzothiophen-3-one CAS Name: (2Z)-7-docosan-4-yl-2-[(3,4,5-triheptoxyphenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-7-docosan-4-yl-2-[(3,4,5-triheptoxyphenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-7-(1-propylnonadecyl)-2-(3,4,5-triheptoxybenzylidene)benzothiophen-3-one Formula: C58H96O4S MolecularWeight: 889.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H96O4S/c1-6-11-15-19-20-21-22-23-24-25-26-27-28-29-30-34-40-50(39-10-5)51-41-38-42-52-56(59)55(63-58(51)52)48-49-46-53(60-43-35-31-16-12-7-2)57(62-45-37-33-18-14-9-4)54(47-49)61-44-36-32-17-13-8-3/h38,41-42,46-48,50H,6-37,39-40,43-45H2,1-5H3/b55-48-