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

Systemtic Name: (2Z)-2-[(3,4-diheptoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one Openeye Name: (2Z)-2-[(3,4-diheptoxyphenyl)methylene]-7-(1-propylnonadecyl)benzothiophen-3-one CAS Name: (2Z)-2-[(3,4-diheptoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[(3,4-diheptoxyphenyl)methylidene]-7-docosan-4-yl-1-benzothiophen-3-one Traditional Name: (2Z)-2-(3,4-diheptoxybenzylidene)-7-(1-propylnonadecyl)benzothiophen-3-one Formula: C51H82O3S MolecularWeight: 775.25998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H82O3S/c1-5-9-12-15-16-17-18-19-20-21-22-23-24-25-26-29-34-44(33-8-4)45-35-32-36-46-50(52)49(55-51(45)46)42-43-37-38-47(53-39-30-27-13-10-6-2)48(41-43)54-40-31-28-14-11-7-3/h32,35-38,41-42,44H,5-31,33-34,39-40H2,1-4H3/b49-42-