4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride

Systemtic Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride Openeye Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride CAS Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride IUPAC Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride Traditional Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoyl chloride Formula: C25H29ClO2 MolecularWeight: 396.94956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)Cl

Isomeric SMILES

CC(C)CCCC(C)CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)Cl

InChI

InChI=1S/C25H29ClO2/c1-19(2)5-4-6-20(3)17-18-28-24-15-11-22(12-16-24)8-7-21-9-13-23(14-10-21)25(26)27/h9-16,19-20H,4-6,17-18H2,1-3H3